2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol

C10H17NOS — CID 59135133

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCC(C)(C)c1nc(C(C)(C)O)cs1
InChIInChI=1S/C10H17NOS/c1-9(2,3)8-11-7(6-13-8)10(4,5)12/h6,12H,1-5H3
InChIKeyHNWXSAIQAQPXQT-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.67
Rot. Bonds1

About 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol

2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 59135133) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID59135133
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCC(C)(C)c1nc(C(C)(C)O)cs1
InChIInChI=1S/C10H17NOS/c1-9(2,3)8-11-7(6-13-8)10(4,5)12/h6,12H,1-5H3
InChIKeyHNWXSAIQAQPXQT-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-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-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol (CID 59135133) is 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol is CC(C)(C)c1nc(C(C)(C)O)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is HNWXSAIQAQPXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(2,3)8-11-7(6-13-8)10(4,5)12/h6,12H,1-5H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol?
2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 59135133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).