5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

C14H12N4OS — CID 63717460

IUPAC5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C14H12N4OS/c15-7-9-5-6-11(16-8-9)13(19)18-14-17-10-3-1-2-4-12(10)20-14/h5-6,8H,1-4H2,(H,17,18,19)
InChIKeyXMUDLSYPMUXWDU-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.54
Rot. Bonds2

About 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 63717460) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID63717460
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)nc1
InChIInChI=1S/C14H12N4OS/c15-7-9-5-6-11(16-8-9)13(19)18-14-17-10-3-1-2-4-12(10)20-14/h5-6,8H,1-4H2,(H,17,18,19)
InChIKeyXMUDLSYPMUXWDU-UHFFFAOYSA-N
XLogP2.54
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640589
5-(ethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640590
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104640909
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 7948503
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
1-(4-cyanophenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17488488

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 63717460) is 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)nc1.
What is the InChIKey of 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is XMUDLSYPMUXWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-7-9-5-6-11(16-8-9)13(19)18-14-17-10-3-1-2-4-12(10)20-14/h5-6,8H,1-4H2,(H,17,18,19).
What are the key properties of 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 63717460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).