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

C17H12N4OS2 — CID 18858969

IUPAC2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cccnc2-c2nc3ccccc3s2)n1
InChIInChI=1S/C17H12N4OS2/c1-10-9-23-17(19-10)21-15(22)11-5-4-8-18-14(11)16-20-12-6-2-3-7-13(12)24-16/h2-9H,1H3,(H,19,21,22)
InChIKeyPMOOWYPHMJLITL-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.38
Rot. Bonds3

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

2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 18858969) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID18858969
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2cccnc2-c2nc3ccccc3s2)n1
InChIInChI=1S/C17H12N4OS2/c1-10-9-23-17(19-10)21-15(22)11-5-4-8-18-14(11)16-20-12-6-2-3-7-13(12)24-16/h2-9H,1H3,(H,19,21,22)
InChIKeyPMOOWYPHMJLITL-UHFFFAOYSA-N
XLogP4.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-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

2-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 18858868
2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 18858890
2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858870
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
2-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 7693813
2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
CID 18858913
2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858904
2-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858869
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557524
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide
CID 7631874

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 18858969) is 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1csc(NC(=O)c2cccnc2-c2nc3ccccc3s2)n1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is PMOOWYPHMJLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c1-10-9-23-17(19-10)21-15(22)11-5-4-8-18-14(11)16-20-12-6-2-3-7-13(12)24-16/h2-9H,1H3,(H,19,21,22).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 18858969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).