2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol

C8H9NOS — CID 86669573

IUPAC2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
SMILESC#CC(C)(O)c1nc(C)cs1
InChIInChI=1S/C8H9NOS/c1-4-8(3,10)7-9-6(2)5-11-7/h1,5,10H,2-3H3
InChIKeyULIKYCNITLBMGE-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.29
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol

2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol (PubChem CID 86669573) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
PubChem CID86669573
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
SMILESC#CC(C)(O)c1nc(C)cs1
InChIInChI=1S/C8H9NOS/c1-4-8(3,10)7-9-6(2)5-11-7/h1,5,10H,2-3H3
InChIKeyULIKYCNITLBMGE-UHFFFAOYSA-N
XLogP1.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-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 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol (CID 86669573) is 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol is C#CC(C)(O)c1nc(C)cs1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol?
The InChIKey is ULIKYCNITLBMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-4-8(3,10)7-9-6(2)5-11-7/h1,5,10H,2-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol?
2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol has a molecular weight of 167.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol is sourced from PubChem (CID 86669573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).