4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one

C17H15NO3S — CID 91934058

IUPAC4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
InChIInChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyQSUNWTIUUJNHCS-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.83
Rot. Bonds4

About 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 91934058) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID91934058
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1
InChIInChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyQSUNWTIUUJNHCS-UHFFFAOYSA-N
XLogP3.83
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91144260
5-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91934015
4-hydroxy-5-[[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934034
4-hydroxy-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90835967
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
5-[(3-aminophenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54050429
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
4-hydroxy-5-[[4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 123370768
[4-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]phenyl] methanesulfonate
CID 54388556
4-hydroxy-5-[[4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 57108917
2-methyl-1-[4-(3-methylphenoxy)phenyl]propan-2-amine
CID 54233286
N-[4-[2-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxyphenyl]pyridine-3-carboxamide
CID 90961005

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one (CID 91934058) is 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one is Cc1cccc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)c1.
What is the InChIKey of 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QSUNWTIUUJNHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,19H,10H2,1H3,(H,18,20).
What are the key properties of 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 313.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91934058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).