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

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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).