4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one

C10H16N2O2S — CID 123909145

IUPAC4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one
SMILESCN1CCCC1CCn1c(O)csc1=O
InChIInChI=1S/C10H16N2O2S/c1-11-5-2-3-8(11)4-6-12-9(13)7-15-10(12)14/h7-8,13H,2-6H2,1H3
InChIKeyKYYCSBOYSYWRCL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.10
Rot. Bonds3

About 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one

4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 123909145) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one
PubChem CID123909145
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one
SMILESCN1CCCC1CCn1c(O)csc1=O
InChIInChI=1S/C10H16N2O2S/c1-11-5-2-3-8(11)4-6-12-9(13)7-15-10(12)14/h7-8,13H,2-6H2,1H3
InChIKeyKYYCSBOYSYWRCL-UHFFFAOYSA-N
XLogP1.10
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-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 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one (CID 123909145) is 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one is CN1CCCC1CCn1c(O)csc1=O.
What is the InChIKey of 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is KYYCSBOYSYWRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-11-5-2-3-8(11)4-6-12-9(13)7-15-10(12)14/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one?
4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 123909145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).