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

C14H11ClN4OS — CID 62151807

IUPAC6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cnc(N)c(Cl)c3)sc2c1
InChIInChI=1S/C14H11ClN4OS/c1-7-2-3-10-11(4-7)21-14(18-10)19-13(20)8-5-9(15)12(16)17-6-8/h2-6H,1H3,(H2,16,17)(H,18,19,20)
InChIKeyDEAVGYLDSLHELC-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.49
Rot. Bonds2

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

6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 62151807) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID62151807
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cnc(N)c(Cl)c3)sc2c1
InChIInChI=1S/C14H11ClN4OS/c1-7-2-3-10-11(4-7)21-14(18-10)19-13(20)8-5-9(15)12(16)17-6-8/h2-6H,1H3,(H2,16,17)(H,18,19,20)
InChIKeyDEAVGYLDSLHELC-UHFFFAOYSA-N
XLogP3.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
3,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide
CID 18854098
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
3,5-dichloro-4-heptoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18854102
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 19479289
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 62151807) is 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Cc1ccc2nc(NC(=O)c3cnc(N)c(Cl)c3)sc2c1.
What is the InChIKey of 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is DEAVGYLDSLHELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-7-2-3-10-11(4-7)21-14(18-10)19-13(20)8-5-9(15)12(16)17-6-8/h2-6H,1H3,(H2,16,17)(H,18,19,20).
What are the key properties of 6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 318.79 g/mol, XLogP of 3.49, 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-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62151807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).