Basic information
- Standard SMILES
COC(=O)c1nnc(-c2cnc(Cl)cc2NC(C)C)s1- InChIKey
AEZPGDMNTWNKBS-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O2S
- Average molar mass
- 312.78 g/mol
Names & identifiers
- Preferred name
- Methyl 5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylate
- IUPAC
- methyl 5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazole-2-carboxylate
Names & synonyms
1447227-78-2Methyl 5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylatemethyl 5-{6-chloro-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazole-2-carboxylatemethyl 5-[6-chloro-4-(propan-2-ylamino)pyridin-3-yl]-1,3,4-thiadiazole-2-carboxylateC12H13ClN4O2SSCHEMBL15111678SCHEMBL30843349AEZPGDMNTWNKBS-UHFFFAOYSA-NMFCD30185765AKOS027429971AS-73928DB-158661
Show more names
W12939methyl 5-[6-chloro-4-(isopropylamino)-3-pyridyl]-1,3,4-thiadiazole-2-carboxylateMethyl5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylate5-(6-Chloro-4-isopropylamino-pyridin-3-yl)-[1,3,4]thiadiazole-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 89690804
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
6 records
Linked notes
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