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

C19H21F3N2OS — CID 35223807

IUPAC2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c1
InChIInChI=1S/C19H21F3N2OS/c1-12-4-2-5-13(8-12)18-24-16(11-26-18)10-17(25)23-15-7-3-6-14(9-15)19(20,21)22/h2,4-5,8,11,14-15H,3,6-7,9-10H2,1H3,(H,23,25)/t14-,15-/m1/s1
InChIKeyMJXHBFBWMMUJSV-HUUCEWRRSA-N
MW382.45 g/mol
LogP4.90
Rot. Bonds4

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

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 35223807) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID35223807
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c1
InChIInChI=1S/C19H21F3N2OS/c1-12-4-2-5-13(8-12)18-24-16(11-26-18)10-17(25)23-15-7-3-6-14(9-15)19(20,21)22/h2,4-5,8,11,14-15H,3,6-7,9-10H2,1H3,(H,23,25)/t14-,15-/m1/s1
InChIKeyMJXHBFBWMMUJSV-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-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223783
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(2-methylpiperidin-4-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120599425
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-3-yl)acetamide;dihydrochloride
CID 120574533
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857638
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16605105
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 16563687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 35223807) is 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is Cc1cccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cs2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is MJXHBFBWMMUJSV-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c1-12-4-2-5-13(8-12)18-24-16(11-26-18)10-17(25)23-15-7-3-6-14(9-15)19(20,21)22/h2,4-5,8,11,14-15H,3,6-7,9-10H2,1H3,(H,23,25)/t14-,15-/m1/s1.
What are the key properties of 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-[2-(3-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-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 35223807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).