2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide

C21H17N3OS — CID 7708389

IUPAC2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C21H17N3OS/c1-24(14-15-8-3-2-4-9-15)21(25)16-10-7-13-22-19(16)20-23-17-11-5-6-12-18(17)26-20/h2-13H,14H2,1H3
InChIKeyMSWPSIYIMQSAKQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.63
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide

2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide (PubChem CID 7708389) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide
PubChem CID7708389
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C21H17N3OS/c1-24(14-15-8-3-2-4-9-15)21(25)16-10-7-13-22-19(16)20-23-17-11-5-6-12-18(17)26-20/h2-13H,14H2,1H3
InChIKeyMSWPSIYIMQSAKQ-UHFFFAOYSA-N
XLogP4.63
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752006
2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
CID 18858913
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18117599
2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 18858890
2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858969
2-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 18858868
quinolin-8-yl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
CID 18858955
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide
CID 2707132
2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide
CID 7631874
2-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 7693813
[2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 7679406

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide (CID 7708389) is 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cccnc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide?
The InChIKey is MSWPSIYIMQSAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-24(14-15-8-3-2-4-9-15)21(25)16-10-7-13-22-19(16)20-23-17-11-5-6-12-18(17)26-20/h2-13H,14H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-benzyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 7708389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).