2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C16H22F3N3O2S — CID 123388238

IUPAC2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)CC1CCCC1)c1nc(C(F)(F)F)c(C(N)=O)s1
InChIInChI=1S/C16H22F3N3O2S/c1-8(2)11(21-10(23)7-9-5-3-4-6-9)15-22-13(16(17,18)19)12(25-15)14(20)24/h8-9,11H,3-7H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyYYEJSSYGLSVYMR-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 123388238) has the molecular formula C16H22F3N3O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID123388238
Molecular FormulaC16H22F3N3O2S
Molecular Weight377.43 g/mol
Exact Mass377.14
IUPAC Name2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)CC1CCCC1)c1nc(C(F)(F)F)c(C(N)=O)s1
InChIInChI=1S/C16H22F3N3O2S/c1-8(2)11(21-10(23)7-9-5-3-4-6-9)15-22-13(16(17,18)19)12(25-15)14(20)24/h8-9,11H,3-7H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyYYEJSSYGLSVYMR-UHFFFAOYSA-N
XLogP3.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

WO2021250648, Example 71
CID 162396436
2-cyclopentyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 97194041
N-cyclopentyl-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-methylpyrrolidine-2-carboxamide
CID 110249128
2,4-dimethyl-N-[(7-oxoazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91920122
(8aR,11aS)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201553
(1S,11R)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199273
(1S,11R)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199383
(1S,11R)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201217
N-{[(2S,4S)-4-Fluoropyrrolidin-2-YL]methyl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 70735320
4-(difluoromethyl)-2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 16727058
N-(2-butan-2-ylcyclohexyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 19937611
2-Methyl-4-trifluoromethyl-thiazole-5-carboxylic acid-trans-2-sec-butylcyclohexylamide
CID 22853537

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 123388238) is 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)C(NC(=O)CC1CCCC1)c1nc(C(F)(F)F)c(C(N)=O)s1.
What is the InChIKey of 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YYEJSSYGLSVYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2S/c1-8(2)11(21-10(23)7-9-5-3-4-6-9)15-22-13(16(17,18)19)12(25-15)14(20)24/h8-9,11H,3-7H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopentylacetyl)amino]-2-methylpropyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 123388238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).