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

C10H9NO4S2 — CID 90772556

IUPAC4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one
SMILESCOc1ccc(S(=O)c2sc(=O)[nH]c2O)cc1
InChIInChI=1S/C10H9NO4S2/c1-15-6-2-4-7(5-3-6)17(14)9-8(12)11-10(13)16-9/h2-5,12H,1H3,(H,11,13)
InChIKeyNITMUQRYRFZPJE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.32
Rot. Bonds3

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

4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one (PubChem CID 90772556) has the molecular formula C10H9NO4S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one
PubChem CID90772556
Molecular FormulaC10H9NO4S2
Molecular Weight271.32 g/mol
Exact Mass271.00
IUPAC Name4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one
SMILESCOc1ccc(S(=O)c2sc(=O)[nH]c2O)cc1
InChIInChI=1S/C10H9NO4S2/c1-15-6-2-4-7(5-3-6)17(14)9-8(12)11-10(13)16-9/h2-5,12H,1H3,(H,11,13)
InChIKeyNITMUQRYRFZPJE-UHFFFAOYSA-N
XLogP1.32
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one
CID 90975566
(4-methoxyphenyl) 4-methoxybenzenesulfinate
CID 20694096
6-[hydroxy-(4-methoxyphenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 19811964
1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfinylpropan-2-one
CID 64636130
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
4-(4-ethoxyphenyl)sulfinylphenol
CID 139983404
4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfinic acid
CID 10831030
2-(4-hydroxyphenyl)sulfinyl-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 15958441
5-[2-[2-(3-aminopropoxy)-5-methoxyphenyl]ethyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 123459473
1-[(E)-2-(4-fluorophenyl)sulfinylethenyl]-4-methoxybenzene
CID 57384940
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one (CID 90772556) is 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one is COc1ccc(S(=O)c2sc(=O)[nH]c2O)cc1.
What is the InChIKey of 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one?
The InChIKey is NITMUQRYRFZPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S2/c1-15-6-2-4-7(5-3-6)17(14)9-8(12)11-10(13)16-9/h2-5,12H,1H3,(H,11,13).
What are the key properties of 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one?
4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-methoxyphenyl)sulfinyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 90772556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).