5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one

C10H10N2O3S — CID 42281624

IUPAC5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one
SMILESCn1ccnc1SCc1cc(=O)c(O)co1
InChIInChI=1S/C10H10N2O3S/c1-12-3-2-11-10(12)16-6-7-4-8(13)9(14)5-15-7/h2-5,14H,6H2,1H3
InChIKeyDARRJDGVMAZLGK-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.37
Rot. Bonds3

About 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one

5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one (PubChem CID 42281624) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one
PubChem CID42281624
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one
SMILESCn1ccnc1SCc1cc(=O)c(O)co1
InChIInChI=1S/C10H10N2O3S/c1-12-3-2-11-10(12)16-6-7-4-8(13)9(14)5-15-7/h2-5,14H,6H2,1H3
InChIKeyDARRJDGVMAZLGK-UHFFFAOYSA-N
XLogP1.37
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one (CID 42281624) is 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one is Cn1ccnc1SCc1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one?
The InChIKey is DARRJDGVMAZLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-12-3-2-11-10(12)16-6-7-4-8(13)9(14)5-15-7/h2-5,14H,6H2,1H3.
What are the key properties of 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one?
5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one has a molecular weight of 238.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]pyran-4-one is sourced from PubChem (CID 42281624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).