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

C14H12N4OS — CID 62151806

IUPAC4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(N)ccn3)sc2c1
InChIInChI=1S/C14H12N4OS/c1-8-2-3-10-12(6-8)20-14(17-10)18-13(19)11-7-9(15)4-5-16-11/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyIDDIWBZHEUZKQT-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.83
Rot. Bonds2

About 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide

4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (PubChem CID 62151806) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
PubChem CID62151806
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cc(N)ccn3)sc2c1
InChIInChI=1S/C14H12N4OS/c1-8-2-3-10-12(6-8)20-14(17-10)18-13(19)11-7-9(15)4-5-16-11/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyIDDIWBZHEUZKQT-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-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
CID 106860352
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-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
1-(3-aminophenyl)-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 29277539
N-(6-amino-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 65214484
4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 75154398
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62238142
N-(6-methyl-1,3-benzothiazol-2-yl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114367

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide (CID 62151806) is 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is Cc1ccc2nc(NC(=O)c3cc(N)ccn3)sc2c1.
What is the InChIKey of 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is IDDIWBZHEUZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-8-2-3-10-12(6-8)20-14(17-10)18-13(19)11-7-9(15)4-5-16-11/h2-7H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide?
4-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 4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62151806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).