5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid

C8H6N2O3S2 — CID 61397335

IUPAC5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2nccs2)on1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)6-3-5(13-10-6)4-15-8-9-1-2-14-8/h1-3H,4H2,(H,11,12)
InChIKeyHANXINBFQISWLQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.12
Rot. Bonds4

About 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid

5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 61397335) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID61397335
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2nccs2)on1
InChIInChI=1S/C8H6N2O3S2/c11-7(12)6-3-5(13-10-6)4-15-8-9-1-2-14-8/h1-3H,4H2,(H,11,12)
InChIKeyHANXINBFQISWLQ-UHFFFAOYSA-N
XLogP2.12
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Analyze 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid 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-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397494
6-(1,3-thiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 106903496
5-[(2-aminophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397383
5-(2-hydroxyethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397277
5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 104589939
5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 11231947
2-fluoro-4-(1,3-thiazol-2-ylsulfanylmethyl)benzoic acid
CID 106698607
2-[(E)-3-chloroprop-2-enyl]sulfanyl-1,3-thiazole
CID 119086256
5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397385
5-(benzylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397512
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298
1,3-thiazol-2-ylsulfanylformic acid
CID 88841214

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid (CID 61397335) is 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CSc2nccs2)on1.
What is the InChIKey of 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is HANXINBFQISWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c11-7(12)6-3-5(13-10-6)4-15-8-9-1-2-14-8/h1-3H,4H2,(H,11,12).
What are the key properties of 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).