2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one

C16H23NO3S — CID 3860679

IUPAC2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C2SCC(=O)N2CC2(O)CCCCC2)oc1C
InChIInChI=1S/C16H23NO3S/c1-11-8-13(20-12(11)2)15-17(14(18)9-21-15)10-16(19)6-4-3-5-7-16/h8,15,19H,3-7,9-10H2,1-2H3
InChIKeyQUDCKBARPWBIOM-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.17
Rot. Bonds3

About 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one

2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3860679) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3860679
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1cc(C2SCC(=O)N2CC2(O)CCCCC2)oc1C
InChIInChI=1S/C16H23NO3S/c1-11-8-13(20-12(11)2)15-17(14(18)9-21-15)10-16(19)6-4-3-5-7-16/h8,15,19H,3-7,9-10H2,1-2H3
InChIKeyQUDCKBARPWBIOM-UHFFFAOYSA-N
XLogP3.17
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one (CID 3860679) is 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one is Cc1cc(C2SCC(=O)N2CC2(O)CCCCC2)oc1C.
What is the InChIKey of 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is QUDCKBARPWBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-11-8-13(20-12(11)2)15-17(14(18)9-21-15)10-16(19)6-4-3-5-7-16/h8,15,19H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one?
2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 309.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylfuran-2-yl)-3-[(1-hydroxycyclohexyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3860679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).