N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C16H13N3O3S2 — CID 155961799

IUPACN-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N3O3S2/c1-11-4-6-13(7-5-11)24(21,22)19-15(20)14-10-23-16(18-14)12-3-2-8-17-9-12/h2-10H,1H3,(H,19,20)
InChIKeySTOAOKFTGFDJHQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.63
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 155961799) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID155961799
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC NameN-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N3O3S2/c1-11-4-6-13(7-5-11)24(21,22)19-15(20)14-10-23-16(18-14)12-3-2-8-17-9-12/h2-10H,1H3,(H,19,20)
InChIKeySTOAOKFTGFDJHQ-UHFFFAOYSA-N
XLogP2.63
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424
N-[4-[2-[(4-methylphenyl)sulfonylamino]ethylcarbamoyl]piperidin-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 3863181
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
N-[2-oxo-2-(3-sulfamoylanilino)ethyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 171651511
N-(2,3-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110651203
N-(2-formylthiophen-3-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 88563034
N-(3-hydroxy-2-pyridinyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18109513

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 155961799) is N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is STOAOKFTGFDJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c1-11-4-6-13(7-5-11)24(21,22)19-15(20)14-10-23-16(18-14)12-3-2-8-17-9-12/h2-10H,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155961799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).