N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide

C14H13F3N2OS — CID 46674238

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)11-7-21-13(18-11)19-12(20)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKCCLXTYHJIARPN-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.54
Rot. Bonds3

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 46674238) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID46674238
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)11-7-21-13(18-11)19-12(20)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKCCLXTYHJIARPN-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-methyl-N-propan-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113871
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 64556257
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24509640
N-methyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113897
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 46674238) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is CC(C)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is KCCLXTYHJIARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-8(2)11-7-21-13(18-11)19-12(20)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 314.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46674238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).