N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H17F3N2OS — CID 112806379

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1csc(NC(=O)C2CC2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H17F3N2OS/c1-9(2)14-8-24-16(21-14)22-15(23)12-7-11(12)10-5-3-4-6-13(10)17(18,19)20/h3-6,8-9,11-12H,7H2,1-2H3,(H,21,22,23)
InChIKeyAZWJHBDJLNRTFB-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.03
Rot. Bonds4

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 112806379) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID112806379
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)c1csc(NC(=O)C2CC2c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C17H17F3N2OS/c1-9(2)14-8-24-16(21-14)22-15(23)12-7-11(12)10-5-3-4-6-13(10)17(18,19)20/h3-6,8-9,11-12H,7H2,1-2H3,(H,21,22,23)
InChIKeyAZWJHBDJLNRTFB-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
2-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102559952
cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124859937
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61479820
cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134009905
N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055578
N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 94828843
N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112820316

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 112806379) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC(C)c1csc(NC(=O)C2CC2c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AZWJHBDJLNRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c1-9(2)14-8-24-16(21-14)22-15(23)12-7-11(12)10-5-3-4-6-13(10)17(18,19)20/h3-6,8-9,11-12H,7H2,1-2H3,(H,21,22,23).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 354.40 g/mol, XLogP of 5.03, 4 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)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112806379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).