4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide

C15H16F2N2O2S — CID 122156451

IUPAC4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1csc(-c2ccco2)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H16F2N2O2S/c16-15(17)5-3-10(4-6-15)13(20)18-8-11-9-22-14(19-11)12-2-1-7-21-12/h1-2,7,9-10H,3-6,8H2,(H,18,20)
InChIKeyHVMTZKQFVGDVSW-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.84
Rot. Bonds4

About 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 122156451) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
PubChem CID122156451
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1csc(-c2ccco2)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H16F2N2O2S/c16-15(17)5-3-10(4-6-15)13(20)18-8-11-9-22-14(19-11)12-2-1-7-21-12/h1-2,7,9-10H,3-6,8H2,(H,18,20)
InChIKeyHVMTZKQFVGDVSW-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide (CID 122156451) is 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide is O=C(NCc1csc(-c2ccco2)n1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is HVMTZKQFVGDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c16-15(17)5-3-10(4-6-15)13(20)18-8-11-9-22-14(19-11)12-2-1-7-21-12/h1-2,7,9-10H,3-6,8H2,(H,18,20).
What are the key properties of 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 122156451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).