1-(1,2-thiazol-3-yl)propane-1,2-diol

C6H9NO2S — CID 130604797

IUPAC1-(1,2-thiazol-3-yl)propane-1,2-diol
SMILESCC(O)C(O)c1ccsn1
InChIInChI=1S/C6H9NO2S/c1-4(8)6(9)5-2-3-10-7-5/h2-4,6,8-9H,1H3
InChIKeySCFZBUCCSILXER-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.56
Rot. Bonds2

About 1-(1,2-thiazol-3-yl)propane-1,2-diol

1-(1,2-thiazol-3-yl)propane-1,2-diol (PubChem CID 130604797) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)propane-1,2-diol
PubChem CID130604797
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name1-(1,2-thiazol-3-yl)propane-1,2-diol
SMILESCC(O)C(O)c1ccsn1
InChIInChI=1S/C6H9NO2S/c1-4(8)6(9)5-2-3-10-7-5/h2-4,6,8-9H,1H3
InChIKeySCFZBUCCSILXER-UHFFFAOYSA-N
XLogP0.56
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-thiazol-3-yl)propane-1,2-diol 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

2-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 131020007
(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
3-(1-bromoethyl)-1,2-thiazole
CID 20550122
3-(1-chloroethyl)-1,2-thiazole
CID 130920926
2-methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
CID 130752198
(2-methyl-1,3-oxazol-4-yl)-(1,2-thiazol-3-yl)methanol
CID 130927982
3-(1,2-thiazol-3-yl)butan-1-amine
CID 126985785
(2-methyl-1,3-thiazol-5-yl)-(1,2-thiazol-3-yl)methanol
CID 131064888
2,2-dimethyl-1-(1,2-thiazol-3-yl)propan-1-amine
CID 131088967
(1-methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
CID 130632212
(5-bromofuran-2-yl)-(1,2-thiazol-3-yl)methanol
CID 131101510
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-3-yl)propane-1,2-diol?
The IUPAC name of 1-(1,2-thiazol-3-yl)propane-1,2-diol (CID 130604797) is 1-(1,2-thiazol-3-yl)propane-1,2-diol.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)propane-1,2-diol?
The canonical SMILES for 1-(1,2-thiazol-3-yl)propane-1,2-diol is CC(O)C(O)c1ccsn1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)propane-1,2-diol?
The InChIKey is SCFZBUCCSILXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-4(8)6(9)5-2-3-10-7-5/h2-4,6,8-9H,1H3.
What are the key properties of 1-(1,2-thiazol-3-yl)propane-1,2-diol?
1-(1,2-thiazol-3-yl)propane-1,2-diol has a molecular weight of 159.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)propane-1,2-diol is sourced from PubChem (CID 130604797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).