2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

C16H17F3N2O2S — CID 43055913

IUPAC2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H17F3N2O2S/c1-9-13(21-15(24-9)12-7-4-8-23-12)14(22)20-11-6-3-2-5-10(11)16(17,18)19/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,20,22)
InChIKeyJFUMPCDSCWCGBR-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.56
Rot. Bonds3

About 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 43055913) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID43055913
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC Name2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccco2)nc1C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H17F3N2O2S/c1-9-13(21-15(24-9)12-7-4-8-23-12)14(22)20-11-6-3-2-5-10(11)16(17,18)19/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,20,22)
InChIKeyJFUMPCDSCWCGBR-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-5-methyl-N-[2-(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

N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120555681
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134018768
N-cyclobutyl-2-(furan-2-yl)-N-(2-hydroxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 102684339
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 134022945
6-(furan-2-yl)-1,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55534254
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(furan-2-yl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 78956621
1-[[[2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544577
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417508

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide (CID 43055913) is 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JFUMPCDSCWCGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-9-13(21-15(24-9)12-7-4-8-23-12)14(22)20-11-6-3-2-5-10(11)16(17,18)19/h4,7-8,10-11H,2-3,5-6H2,1H3,(H,20,22).
What are the key properties of 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43055913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).