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

C13H13ClN4OS — CID 62161403

IUPAC6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2nc3c(s2)CCCC3)cc1Cl
InChIInChI=1S/C13H13ClN4OS/c14-8-5-7(6-16-11(8)15)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h5-6H,1-4H2,(H2,15,16)(H,17,18,19)
InChIKeySMVLYEVLUWUAEL-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.90
Rot. Bonds2

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

6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 62161403) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID62161403
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)Nc2nc3c(s2)CCCC3)cc1Cl
InChIInChI=1S/C13H13ClN4OS/c14-8-5-7(6-16-11(8)15)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h5-6H,1-4H2,(H2,15,16)(H,17,18,19)
InChIKeySMVLYEVLUWUAEL-UHFFFAOYSA-N
XLogP2.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 7948503
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
CID 17456714
4-amino-5-chloro-2-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 119700477
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-indazole-6-carboxamide
CID 60715306
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
3,5-diacetamido-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60572213
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 115930466

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 62161403) is 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Nc1ncc(C(=O)Nc2nc3c(s2)CCCC3)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SMVLYEVLUWUAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-8-5-7(6-16-11(8)15)12(19)18-13-17-9-3-1-2-4-10(9)20-13/h5-6H,1-4H2,(H2,15,16)(H,17,18,19).
What are the key properties of 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62161403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).