1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide

C21H21F3N2OS — CID 158365634

IUPAC1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide
SMILESO=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)CC=C2C1CCCCC1
InChIInChI=1S/C21H21F3N2OS/c22-21(23,24)20-26-12-16(28-20)11-25-19(27)15-7-9-18-14(10-15)6-8-17(18)13-4-2-1-3-5-13/h7-10,12-13H,1-6,11H2,(H,25,27)
InChIKeyJXNNIACZJSGODA-UHFFFAOYSA-N
MW406.47 g/mol
LogP5.61
Rot. Bonds4

About 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide

1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide (PubChem CID 158365634) has the molecular formula C21H21F3N2OS and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide
PubChem CID158365634
Molecular FormulaC21H21F3N2OS
Molecular Weight406.47 g/mol
Exact Mass406.13
IUPAC Name1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide
SMILESO=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)CC=C2C1CCCCC1
InChIInChI=1S/C21H21F3N2OS/c22-21(23,24)20-26-12-16(28-20)11-25-19(27)15-7-9-18-14(10-15)6-8-17(18)13-4-2-1-3-5-13/h7-10,12-13H,1-6,11H2,(H,25,27)
InChIKeyJXNNIACZJSGODA-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289542
N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289576
4-((3-Carbamoylphenyl)(1-(thiazol-5-ylmethyl)piperidin-4-ylidene)methyl)-N,N-dimethylbenzamide
CID 121430051
3,4-dimethyl-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45268434
Phenyl-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56682654
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide
CID 25169509
3-(2,4-difluorophenyl)-N-(1-methoxypropan-2-yl)-5-(1,3-thiazol-5-yl)benzamide
CID 59432547
2-tert-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 47724314
2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 47724492
3-[2-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]benzamide
CID 75380790
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46460039
4-((S)-2-(dimethylamino)-3-((S)-3-(2-methylthiazol-5-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluoro-3-methylbenzamide
CID 166025610

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide (CID 158365634) is 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide is O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)CC=C2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide?
The InChIKey is JXNNIACZJSGODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2OS/c22-21(23,24)20-26-12-16(28-20)11-25-19(27)15-7-9-18-14(10-15)6-8-17(18)13-4-2-1-3-5-13/h7-10,12-13H,1-6,11H2,(H,25,27).
What are the key properties of 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide?
1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3H-indene-5-carboxamide is sourced from PubChem (CID 158365634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).