3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one

C6H9NO2S — CID 43509711

IUPAC3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCO
InChIInChI=1S/C6H9NO2S/c1-5-4-10-6(9)7(5)2-3-8/h4,8H,2-3H2,1H3
InChIKeyMXNHIDLEBDNHIL-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.21
Rot. Bonds2

About 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one

3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43509711) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
PubChem CID43509711
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCO
InChIInChI=1S/C6H9NO2S/c1-5-4-10-6(9)7(5)2-3-8/h4,8H,2-3H2,1H3
InChIKeyMXNHIDLEBDNHIL-UHFFFAOYSA-N
XLogP0.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one 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 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one (CID 43509711) is 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is MXNHIDLEBDNHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-5-4-10-6(9)7(5)2-3-8/h4,8H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one?
3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 159.21 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43509711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).