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

C20H15N3OS — CID 27895592

IUPACN-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C20H15N3OS/c1-13-15(11-12-16(21-13)14-7-3-2-4-8-14)19(24)23-20-22-17-9-5-6-10-18(17)25-20/h2-12H,1H3,(H,22,23,24)
InChIKeyKQIHLUILPAWBLN-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.92
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 27895592) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID27895592
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C20H15N3OS/c1-13-15(11-12-16(21-13)14-7-3-2-4-8-14)19(24)23-20-22-17-9-5-6-10-18(17)25-20/h2-12H,1H3,(H,22,23,24)
InChIKeyKQIHLUILPAWBLN-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080139
N-(1,3-benzothiazol-2-yl)-5-bromo-2,3,4-trimethylbenzamide
CID 23804633
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
N-(1,3-benzothiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37019957
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
N-(4-amino-3,5-dichlorophenyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 55464176
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide (CID 27895592) is N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is KQIHLUILPAWBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13-15(11-12-16(21-13)14-7-3-2-4-8-14)19(24)23-20-22-17-9-5-6-10-18(17)25-20/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 27895592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).