2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid

C12H10N2O3S2 — CID 2831516

IUPAC2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(O)c(/C=N/c2ccccc2)sc1=S
InChIInChI=1S/C12H10N2O3S2/c15-10(16)7-14-11(17)9(19-12(14)18)6-13-8-4-2-1-3-5-8/h1-6,17H,7H2,(H,15,16)/b13-6+
InChIKeyRUDXRNKMEHBHCH-AWNIVKPZSA-N
MW294.36 g/mol
LogP2.82
Rot. Bonds4

About 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid

2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid (PubChem CID 2831516) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
PubChem CID2831516
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC Name2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(O)c(/C=N/c2ccccc2)sc1=S
InChIInChI=1S/C12H10N2O3S2/c15-10(16)7-14-11(17)9(19-12(14)18)6-13-8-4-2-1-3-5-8/h1-6,17H,7H2,(H,15,16)/b13-6+
InChIKeyRUDXRNKMEHBHCH-AWNIVKPZSA-N
XLogP2.82
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid 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 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid (CID 2831516) is 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid is O=C(O)Cn1c(O)c(/C=N/c2ccccc2)sc1=S.
What is the InChIKey of 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
The InChIKey is RUDXRNKMEHBHCH-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c15-10(16)7-14-11(17)9(19-12(14)18)6-13-8-4-2-1-3-5-8/h1-6,17H,7H2,(H,15,16)/b13-6+.
What are the key properties of 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-(phenyliminomethyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 2831516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).