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

C14H12N4OS — CID 104740830

IUPAC3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ncccc3N)sc2c1
InChIInChI=1S/C14H12N4OS/c1-8-4-5-10-11(7-8)20-14(17-10)18-13(19)12-9(15)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18,19)
InChIKeyNOFLGVRSTAURFQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.83
Rot. Bonds2

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

3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 104740830) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID104740830
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3ncccc3N)sc2c1
InChIInChI=1S/C14H12N4OS/c1-8-4-5-10-11(7-8)20-14(17-10)18-13(19)12-9(15)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18,19)
InChIKeyNOFLGVRSTAURFQ-UHFFFAOYSA-N
XLogP2.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 104740830) is 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is Cc1ccc2nc(NC(=O)c3ncccc3N)sc2c1.
What is the InChIKey of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is NOFLGVRSTAURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-4-5-10-11(7-8)20-14(17-10)18-13(19)12-9(15)3-2-6-16-12/h2-7H,15H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104740830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).