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

C9H15NOS — CID 130624388

IUPAC4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)c1ccsn1
InChIInChI=1S/C9H15NOS/c1-7(2)6-9(3,11)8-4-5-12-10-8/h4-5,7,11H,6H2,1-3H3
InChIKeyZERJLMMEUGPTSB-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.40
Rot. Bonds3

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

4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol (PubChem CID 130624388) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
PubChem CID130624388
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
SMILESCC(C)CC(C)(O)c1ccsn1
InChIInChI=1S/C9H15NOS/c1-7(2)6-9(3,11)8-4-5-12-10-8/h4-5,7,11H,6H2,1-3H3
InChIKeyZERJLMMEUGPTSB-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(1,2-thiazol-3-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

Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol?
The IUPAC name of 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol (CID 130624388) is 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol.
What is the SMILES notation for 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol?
The canonical SMILES for 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol is CC(C)CC(C)(O)c1ccsn1.
What is the InChIKey of 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol?
The InChIKey is ZERJLMMEUGPTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(2)6-9(3,11)8-4-5-12-10-8/h4-5,7,11H,6H2,1-3H3.
What are the key properties of 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol?
4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,2-thiazol-3-yl)pentan-2-ol is sourced from PubChem (CID 130624388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).