N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C17H12N4OS2 — CID 100769084

IUPACN-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C17H12N4OS2/c1-10-15(23-17(20-10)11-3-2-6-18-8-11)16(22)21-13-4-5-14-12(7-13)9-19-24-14/h2-9H,1H3,(H,21,22)
InChIKeyDZCWEYHLXZSFDG-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.38
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 100769084) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID100769084
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC NameN-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C17H12N4OS2/c1-10-15(23-17(20-10)11-3-2-6-18-8-11)16(22)21-13-4-5-14-12(7-13)9-19-24-14/h2-9H,1H3,(H,21,22)
InChIKeyDZCWEYHLXZSFDG-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

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Related Compounds

4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 46971817
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CID 100801716
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 30134184
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
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N-(1,3-benzothiazol-6-yl)-4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71114641
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
N-[1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 19616981
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
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3-[4-methyl-5-(phenylcarbamoyl)-1,3-thiazol-2-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 100769084) is N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DZCWEYHLXZSFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c1-10-15(23-17(20-10)11-3-2-6-18-8-11)16(22)21-13-4-5-14-12(7-13)9-19-24-14/h2-9H,1H3,(H,21,22).
What are the key properties of N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-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 N-(1,2-benzothiazol-5-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100769084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).