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

C20H15NO3S — CID 91934024

IUPAC4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(Oc3cccc4ccccc34)cc2)s1
InChIInChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,22H,12H2,(H,21,23)
InChIKeyNZGREMQPMKCDCC-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.68
Rot. Bonds4

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

4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 91934024) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
PubChem CID91934024
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(Oc3cccc4ccccc34)cc2)s1
InChIInChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,22H,12H2,(H,21,23)
InChIKeyNZGREMQPMKCDCC-UHFFFAOYSA-N
XLogP4.68
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one (CID 91934024) is 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccc(Oc3cccc4ccccc34)cc2)s1.
What is the InChIKey of 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is NZGREMQPMKCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,22H,12H2,(H,21,23).
What are the key properties of 4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(4-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 349.41 g/mol, XLogP of 4.68, 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-naphthalen-1-yloxyphenyl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91934024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).