N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C17H16FN3O2S2 — CID 166340281

IUPACN-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCc1ccc(F)cc1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C17H16FN3O2S2/c1-11-3-6-13(18)9-15(11)19-17-20-16(10-24-17)12-4-7-14(8-5-12)21-25(2,22)23/h3-10,21H,1-2H3,(H,19,20)
InChIKeyNDTMJEYDWCXPHR-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.37
Rot. Bonds5

About N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 166340281) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID166340281
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC NameN-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCc1ccc(F)cc1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C17H16FN3O2S2/c1-11-3-6-13(18)9-15(11)19-17-20-16(10-24-17)12-4-7-14(8-5-12)21-25(2,22)23/h3-10,21H,1-2H3,(H,19,20)
InChIKeyNDTMJEYDWCXPHR-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-[4-[2-(2-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340285
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166180802
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[2-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166410275
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 166340281) is N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is Cc1ccc(F)cc1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1.
What is the InChIKey of N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is NDTMJEYDWCXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-11-3-6-13(18)9-15(11)19-17-20-16(10-24-17)12-4-7-14(8-5-12)21-25(2,22)23/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-fluoro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 166340281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).