2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol

C9H15NOS — CID 130646530

IUPAC2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(C)C(O)c1cc(C)ns1
InChIInChI=1S/C9H15NOS/c1-4-6(2)9(11)8-5-7(3)10-12-8/h5-6,9,11H,4H2,1-3H3
InChIKeyBJSRYUIDZOYBNQ-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.53
Rot. Bonds3

About 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol

2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol (PubChem CID 130646530) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
PubChem CID130646530
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
SMILESCCC(C)C(O)c1cc(C)ns1
InChIInChI=1S/C9H15NOS/c1-4-6(2)9(11)8-5-7(3)10-12-8/h5-6,9,11H,4H2,1-3H3
InChIKeyBJSRYUIDZOYBNQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-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

1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
3-Ethyl-5-isothiazolemethanol
CID 89816508
(1-Tert-butylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 90420068
2-[3-(4-Methylcyclohexyl)-1,2-thiazol-5-yl]propan-2-ol
CID 132129486
(5-Ethylisothiazol-3-yl)methanol
CID 164719542
3-(5-Ethyl-1,2-thiazol-3-yl)-3-hydroxy-2-iminopropanimidoyl iodide
CID 166833323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol (CID 130646530) is 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol is CCC(C)C(O)c1cc(C)ns1.
What is the InChIKey of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is BJSRYUIDZOYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-6(2)9(11)8-5-7(3)10-12-8/h5-6,9,11H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol?
2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 130646530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).