2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol

C11H17NOS — CID 104656324

IUPAC2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NOS/c1-4-5-6-11(3,13)7-10-12-9(2)8-14-10/h4,8,13H,1,5-7H2,2-3H3
InChIKeyIKVWAHACJSXVEF-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol

2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol (PubChem CID 104656324) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
PubChem CID104656324
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)Cc1nc(C)cs1
InChIInChI=1S/C11H17NOS/c1-4-5-6-11(3,13)7-10-12-9(2)8-14-10/h4,8,13H,1,5-7H2,2-3H3
InChIKeyIKVWAHACJSXVEF-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-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-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol (CID 104656324) is 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)Cc1nc(C)cs1.
What is the InChIKey of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
The InChIKey is IKVWAHACJSXVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-5-6-11(3,13)7-10-12-9(2)8-14-10/h4,8,13H,1,5-7H2,2-3H3.
What are the key properties of 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol?
2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol has a molecular weight of 211.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1,3-thiazol-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).