2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol

C6H7NO2S — CID 174596481

IUPAC2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol
SMILESC=C(c1ccsn1)C(O)O
InChIInChI=1S/C6H7NO2S/c1-4(6(8)9)5-2-3-10-7-5/h2-3,6,8-9H,1H2
InChIKeyKHHHPIQMXYBHMB-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.47
Rot. Bonds2

About 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol

2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol (PubChem CID 174596481) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol
PubChem CID174596481
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol
SMILESC=C(c1ccsn1)C(O)O
InChIInChI=1S/C6H7NO2S/c1-4(6(8)9)5-2-3-10-7-5/h2-3,6,8-9H,1H2
InChIKeyKHHHPIQMXYBHMB-UHFFFAOYSA-N
XLogP0.47
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol 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-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol?
The IUPAC name of 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol (CID 174596481) is 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol?
The canonical SMILES for 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol is C=C(c1ccsn1)C(O)O.
What is the InChIKey of 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol?
The InChIKey is KHHHPIQMXYBHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(6(8)9)5-2-3-10-7-5/h2-3,6,8-9H,1H2.
What are the key properties of 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol?
2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol has a molecular weight of 157.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)prop-2-ene-1,1-diol is sourced from PubChem (CID 174596481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).