2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C13H12F3N3O3S2 — CID 100773164

IUPAC2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(C)(=O)=O)sc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O3S2/c1-7-10(23-12(17-7)19-24(2,21)22)11(20)18-9-5-3-4-8(6-9)13(14,15)16/h3-6H,1-2H3,(H,17,19)(H,18,20)
InChIKeyBUWWZALTFOVAGB-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.09
Rot. Bonds4

About 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 100773164) has the molecular formula C13H12F3N3O3S2 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID100773164
Molecular FormulaC13H12F3N3O3S2
Molecular Weight379.39 g/mol
Exact Mass379.03
IUPAC Name2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(C)(=O)=O)sc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3O3S2/c1-7-10(23-12(17-7)19-24(2,21)22)11(20)18-9-5-3-4-8(6-9)13(14,15)16/h3-6H,1-2H3,(H,17,19)(H,18,20)
InChIKeyBUWWZALTFOVAGB-UHFFFAOYSA-N
XLogP3.09
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501440
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 87633596
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 100773164) is 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(NS(C)(=O)=O)sc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BUWWZALTFOVAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O3S2/c1-7-10(23-12(17-7)19-24(2,21)22)11(20)18-9-5-3-4-8(6-9)13(14,15)16/h3-6H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 100773164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).