(2-pentan-3-yl-1,3-thiazol-5-yl)methanol

C9H15NOS — CID 64981660

IUPAC(2-pentan-3-yl-1,3-thiazol-5-yl)methanol
SMILESCCC(CC)c1ncc(CO)s1
InChIInChI=1S/C9H15NOS/c1-3-7(4-2)9-10-5-8(6-11)12-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyJTKOBTPBEDOQJK-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.54
Rot. Bonds4

About (2-pentan-3-yl-1,3-thiazol-5-yl)methanol

(2-pentan-3-yl-1,3-thiazol-5-yl)methanol (PubChem CID 64981660) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2-pentan-3-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-pentan-3-yl-1,3-thiazol-5-yl)methanol
PubChem CID64981660
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2-pentan-3-yl-1,3-thiazol-5-yl)methanol
SMILESCCC(CC)c1ncc(CO)s1
InChIInChI=1S/C9H15NOS/c1-3-7(4-2)9-10-5-8(6-11)12-9/h5,7,11H,3-4,6H2,1-2H3
InChIKeyJTKOBTPBEDOQJK-UHFFFAOYSA-N
XLogP2.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-pentan-3-yl-1,3-thiazol-5-yl)methanol 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-pentan-3-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-pentan-3-yl-1,3-thiazol-5-yl)methanol (CID 64981660) is (2-pentan-3-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-pentan-3-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-pentan-3-yl-1,3-thiazol-5-yl)methanol is CCC(CC)c1ncc(CO)s1.
What is the InChIKey of (2-pentan-3-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is JTKOBTPBEDOQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-7(4-2)9-10-5-8(6-11)12-9/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of (2-pentan-3-yl-1,3-thiazol-5-yl)methanol?
(2-pentan-3-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 185.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentan-3-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 64981660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).