1-(1,3-thiazol-2-yl)pentan-2-ol

C8H13NOS — CID 63201592

IUPAC1-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCCCC(O)Cc1nccs1
InChIInChI=1S/C8H13NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h4-5,7,10H,2-3,6H2,1H3
InChIKeyIXNCWRLTWSULLR-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.85
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)pentan-2-ol

1-(1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 63201592) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)pentan-2-ol
PubChem CID63201592
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name1-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCCCC(O)Cc1nccs1
InChIInChI=1S/C8H13NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h4-5,7,10H,2-3,6H2,1H3
InChIKeyIXNCWRLTWSULLR-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-thiazol-2-yl)pentan-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 1-(1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 1-(1,3-thiazol-2-yl)pentan-2-ol (CID 63201592) is 1-(1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)pentan-2-ol is CCCC(O)Cc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is IXNCWRLTWSULLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-yl)pentan-2-ol?
1-(1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 171.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 63201592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).