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

C16H14N2O5S — CID 91384297

IUPAC4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(NCc3cc(=O)c(O)co3)cc2)s1
InChIInChI=1S/C16H14N2O5S/c19-12-6-11(23-8-13(12)20)7-17-10-3-1-9(2-4-10)5-14-15(21)18-16(22)24-14/h1-4,6,8,17,20-21H,5,7H2,(H,18,22)
InChIKeyFOOXFZVAGLOREI-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.00
Rot. Bonds5

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

4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 91384297) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID91384297
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(NCc3cc(=O)c(O)co3)cc2)s1
InChIInChI=1S/C16H14N2O5S/c19-12-6-11(23-8-13(12)20)7-17-10-3-1-9(2-4-10)5-14-15(21)18-16(22)24-14/h1-4,6,8,17,20-21H,5,7H2,(H,18,22)
InChIKeyFOOXFZVAGLOREI-UHFFFAOYSA-N
XLogP2.00
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 91384297) is 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccc(NCc3cc(=O)c(O)co3)cc2)s1.
What is the InChIKey of 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is FOOXFZVAGLOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c19-12-6-11(23-8-13(12)20)7-17-10-3-1-9(2-4-10)5-14-15(21)18-16(22)24-14/h1-4,6,8,17,20-21H,5,7H2,(H,18,22).
What are the key properties of 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 346.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91384297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).