N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C16H15N3O2S2 — CID 9330073

IUPACN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-23(20,21)19-14-9-7-12(8-10-14)15-11-22-16(18-15)17-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18)
InChIKeySTWCAVHMRVGMBH-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.93
Rot. Bonds5

About N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 9330073) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID9330073
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-23(20,21)19-14-9-7-12(8-10-14)15-11-22-16(18-15)17-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18)
InChIKeySTWCAVHMRVGMBH-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166180802
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340281
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
N-[4-[2-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166410275
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
(E)-N-[2-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55560645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 9330073) is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is STWCAVHMRVGMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-23(20,21)19-14-9-7-12(8-10-14)15-11-22-16(18-15)17-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18).
What are the key properties of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 9330073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).