1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol

C8H12N2OS — CID 67481605

IUPAC1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)C1c1nccs1
InChIInChI=1S/C8H12N2OS/c1-10-4-2-6(11)7(10)8-9-3-5-12-8/h3,5-7,11H,2,4H2,1H3
InChIKeyYKBQLJUPUMUQRJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.88
Rot. Bonds1

About 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol

1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol (PubChem CID 67481605) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
PubChem CID67481605
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESCN1CCC(O)C1c1nccs1
InChIInChI=1S/C8H12N2OS/c1-10-4-2-6(11)7(10)8-9-3-5-12-8/h3,5-7,11H,2,4H2,1H3
InChIKeyYKBQLJUPUMUQRJ-UHFFFAOYSA-N
XLogP0.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol 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 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol (CID 67481605) is 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol is CN1CCC(O)C1c1nccs1.
What is the InChIKey of 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is YKBQLJUPUMUQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-4-2-6(11)7(10)8-9-3-5-12-8/h3,5-7,11H,2,4H2,1H3.
What are the key properties of 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol?
1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 184.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 67481605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).