[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol

C10H17NOS — CID 59238379

IUPAC[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol
SMILESCC(C)(C)CCc1nc(CO)cs1
InChIInChI=1S/C10H17NOS/c1-10(2,3)5-4-9-11-8(6-12)7-13-9/h7,12H,4-6H2,1-3H3
InChIKeyUFJAMGITVCRNIY-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.61
Rot. Bonds3

About [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol

[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol (PubChem CID 59238379) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol
PubChem CID59238379
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol
SMILESCC(C)(C)CCc1nc(CO)cs1
InChIInChI=1S/C10H17NOS/c1-10(2,3)5-4-9-11-8(6-12)7-13-9/h7,12H,4-6H2,1-3H3
InChIKeyUFJAMGITVCRNIY-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3,3-dimethylbutyl)-1,3-thiazol-4-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-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol (CID 59238379) is [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol is CC(C)(C)CCc1nc(CO)cs1.
What is the InChIKey of [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is UFJAMGITVCRNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2,3)5-4-9-11-8(6-12)7-13-9/h7,12H,4-6H2,1-3H3.
What are the key properties of [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol?
[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 199.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 59238379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).