2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide

C19H21F3N2OS — CID 35223783

IUPAC2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1
InChIInChI=1S/C19H21F3N2OS/c1-12-5-7-13(8-6-12)18-24-16(11-26-18)10-17(25)23-15-4-2-3-14(9-15)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,25)/t14-,15-/m1/s1
InChIKeyLGUOCGUVDDCKII-HUUCEWRRSA-N
MW382.45 g/mol
LogP4.90
Rot. Bonds4

About 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 35223783) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID35223783
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1
InChIInChI=1S/C19H21F3N2OS/c1-12-5-7-13(8-6-12)18-24-16(11-26-18)10-17(25)23-15-4-2-3-14(9-15)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,25)/t14-,15-/m1/s1
InChIKeyLGUOCGUVDDCKII-HUUCEWRRSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223807
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-(4-ethylcyclohexyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 112816461
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 24621472
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 51932289
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 35223783) is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is LGUOCGUVDDCKII-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c1-12-5-7-13(8-6-12)18-24-16(11-26-18)10-17(25)23-15-4-2-3-14(9-15)19(20,21)22/h5-8,11,14-15H,2-4,9-10H2,1H3,(H,23,25)/t14-,15-/m1/s1.
What are the key properties of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 382.45 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 35223783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).