2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol

C7H11NO2S — CID 58328504

IUPAC2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
SMILESCc1nc(C(CO)CO)cs1
InChIInChI=1S/C7H11NO2S/c1-5-8-7(4-11-5)6(2-9)3-10/h4,6,9-10H,2-3H2,1H3
InChIKeyAFTCRKFWXGHAQO-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.52
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol

2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol (PubChem CID 58328504) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
PubChem CID58328504
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
SMILESCc1nc(C(CO)CO)cs1
InChIInChI=1S/C7H11NO2S/c1-5-8-7(4-11-5)6(2-9)3-10/h4,6,9-10H,2-3H2,1H3
InChIKeyAFTCRKFWXGHAQO-UHFFFAOYSA-N
XLogP0.52
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-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-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol (CID 58328504) is 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol is Cc1nc(C(CO)CO)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol?
The InChIKey is AFTCRKFWXGHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-5-8-7(4-11-5)6(2-9)3-10/h4,6,9-10H,2-3H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol?
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol has a molecular weight of 173.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol is sourced from PubChem (CID 58328504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).