2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

C19H21F3N2O3S — CID 24621472

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCC(C(F)(F)F)C3)cs2)cc1OC
InChIInChI=1S/C19H21F3N2O3S/c1-26-15-7-6-11(8-16(15)27-2)18-24-14(10-28-18)17(25)23-13-5-3-4-12(9-13)19(20,21)22/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,23,25)
InChIKeyIFOKHLRBBXFION-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.68
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 24621472) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID24621472
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCC(C(F)(F)F)C3)cs2)cc1OC
InChIInChI=1S/C19H21F3N2O3S/c1-26-15-7-6-11(8-16(15)27-2)18-24-14(10-28-18)17(25)23-13-5-3-4-12(9-13)19(20,21)22/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,23,25)
InChIKeyIFOKHLRBBXFION-UHFFFAOYSA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 172595703
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223783
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 46655966
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 35223807
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 18157378
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 24621472) is 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCCC(C(F)(F)F)C3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IFOKHLRBBXFION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-26-15-7-6-11(8-16(15)27-2)18-24-14(10-28-18)17(25)23-13-5-3-4-12(9-13)19(20,21)22/h6-8,10,12-13H,3-5,9H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24621472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).