N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C13H11F3N2OS — CID 110676688

IUPACN,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H11F3N2OS/c1-8-10(20-12(17-8)13(14,15)16)11(19)18(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyXBVINHGLPMELQL-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.75
Rot. Bonds2

About N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110676688) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID110676688
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C13H11F3N2OS/c1-8-10(20-12(17-8)13(14,15)16)11(19)18(2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyXBVINHGLPMELQL-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46666940
N,4-dimethyl-N-phenyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389345
N,4-dimethyl-2-[methyl-(1-methylpyrazol-3-yl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 130318532
N-(3-aminophenyl)-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 114034032
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
CID 39071360
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
N-(4-fluorophenyl)-N,4-dimethyl-2-[methyl(methylsulfonyl)amino]-1,3-thiazole-5-carboxamide
CID 100773575
N,2,4-trimethyl-N-phenyl-1,3-oxazole-5-carboxamide
CID 110684871
N,2-dimethyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 110649635
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 110676688) is N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)sc1C(=O)N(C)c1ccccc1.
What is the InChIKey of N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XBVINHGLPMELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-8-10(20-12(17-8)13(14,15)16)11(19)18(2)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-phenyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).