4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one

C10H9NO3S2 — CID 90975566

IUPAC4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one
SMILESCOc1cccc(Sc2sc(=O)[nH]c2O)c1
InChIInChI=1S/C10H9NO3S2/c1-14-6-3-2-4-7(5-6)15-9-8(12)11-10(13)16-9/h2-5,12H,1H3,(H,11,13)
InChIKeyUIIYRCFEQIXKLS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.30
Rot. Bonds3

About 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one

4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one (PubChem CID 90975566) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one
PubChem CID90975566
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one
SMILESCOc1cccc(Sc2sc(=O)[nH]c2O)c1
InChIInChI=1S/C10H9NO3S2/c1-14-6-3-2-4-7(5-6)15-9-8(12)11-10(13)16-9/h2-5,12H,1H3,(H,11,13)
InChIKeyUIIYRCFEQIXKLS-UHFFFAOYSA-N
XLogP2.30
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
CID 118352312
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CID 115426022
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
1-[2-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 3077475
3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 152763783
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
3-hydroxy-6-(3-methoxyphenyl)sulfanyl-1-methyl-3H-indol-2-one
CID 81302079
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one
CID 90772556
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one (CID 90975566) is 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one is COc1cccc(Sc2sc(=O)[nH]c2O)c1.
What is the InChIKey of 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one?
The InChIKey is UIIYRCFEQIXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c1-14-6-3-2-4-7(5-6)15-9-8(12)11-10(13)16-9/h2-5,12H,1H3,(H,11,13).
What are the key properties of 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one?
4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90975566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).