| Canonical Smiles | C1CC1CC2=NN=C(S2)N |
|---|---|
| IUPAC Name | 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine |
| InChIKey | WBXJSQZWPQDHJY-UHFFFAOYSA-N |
| INCHI | 1S/C6H9N3S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2,(H2,7,9) |
| Molecular Weight | 155.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiadiazoles |
| Intermediate Tree Nodes | Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles |
| Direct Parent | 2-amino-5-substituted-1,3,4-thiadiazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-amino-5-substituted-1,3,4-thiadiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-position. |
| External Descriptors | Not available |
| Molecular Weight | 155.220 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 155.052 Da |
| Monoisotopic Mass | 155.052 Da |
| Topological Polar Surface Area | 80.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
