4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one

C17H21NO5S2 — CID 54531782

IUPAC4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one
SMILESCC1(COc2ccc(S(=O)(=O)n3c(O)csc3=O)cc2)CCCCC1
InChIInChI=1S/C17H21NO5S2/c1-17(9-3-2-4-10-17)12-23-13-5-7-14(8-6-13)25(21,22)18-15(19)11-24-16(18)20/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKeyYXBGPIBIDOVPCZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.20
Rot. Bonds5

About 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one

4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one (PubChem CID 54531782) has the molecular formula C17H21NO5S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one
PubChem CID54531782
Molecular FormulaC17H21NO5S2
Molecular Weight383.49 g/mol
Exact Mass383.09
IUPAC Name4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one
SMILESCC1(COc2ccc(S(=O)(=O)n3c(O)csc3=O)cc2)CCCCC1
InChIInChI=1S/C17H21NO5S2/c1-17(9-3-2-4-10-17)12-23-13-5-7-14(8-6-13)25(21,22)18-15(19)11-24-16(18)20/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKeyYXBGPIBIDOVPCZ-UHFFFAOYSA-N
XLogP3.20
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one (CID 54531782) is 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one is CC1(COc2ccc(S(=O)(=O)n3c(O)csc3=O)cc2)CCCCC1.
What is the InChIKey of 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one?
The InChIKey is YXBGPIBIDOVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S2/c1-17(9-3-2-4-10-17)12-23-13-5-7-14(8-6-13)25(21,22)18-15(19)11-24-16(18)20/h5-8,11,19H,2-4,9-10,12H2,1H3.
What are the key properties of 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one?
4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one has a molecular weight of 383.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[4-[(1-methylcyclohexyl)methoxy]phenyl]sulfonyl-1,3-thiazol-2-one is sourced from PubChem (CID 54531782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).