Methyl 5-(6-chloro-4-(isopropylamino)pyridin-3-yl)-1,3,4-thiadiazole-2-carboxylate

HCID 89690804

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

Related reactions

6 records

Linked notes

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