4-tert-butyl-2,5-dimethoxy-1,3-thiazole

C9H15NO2S — CID 146379772

IUPAC4-tert-butyl-2,5-dimethoxy-1,3-thiazole
SMILESCOc1nc(C(C)(C)C)c(OC)s1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)6-7(11-4)13-8(10-6)12-5/h1-5H3
InChIKeyHOROLVZDFZQZEN-UHFFFAOYSA-N
MW201.29 g/mol
LogP2.46
Rot. Bonds2

About 4-tert-butyl-2,5-dimethoxy-1,3-thiazole

4-tert-butyl-2,5-dimethoxy-1,3-thiazole (PubChem CID 146379772) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-tert-butyl-2,5-dimethoxy-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2,5-dimethoxy-1,3-thiazole
PubChem CID146379772
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name4-tert-butyl-2,5-dimethoxy-1,3-thiazole
SMILESCOc1nc(C(C)(C)C)c(OC)s1
InChIInChI=1S/C9H15NO2S/c1-9(2,3)6-7(11-4)13-8(10-6)12-5/h1-5H3
InChIKeyHOROLVZDFZQZEN-UHFFFAOYSA-N
XLogP2.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2,5-dimethoxy-1,3-thiazole 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 4-tert-butyl-2,5-dimethoxy-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2,5-dimethoxy-1,3-thiazole (CID 146379772) is 4-tert-butyl-2,5-dimethoxy-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2,5-dimethoxy-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2,5-dimethoxy-1,3-thiazole is COc1nc(C(C)(C)C)c(OC)s1.
What is the InChIKey of 4-tert-butyl-2,5-dimethoxy-1,3-thiazole?
The InChIKey is HOROLVZDFZQZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-9(2,3)6-7(11-4)13-8(10-6)12-5/h1-5H3.
What are the key properties of 4-tert-butyl-2,5-dimethoxy-1,3-thiazole?
4-tert-butyl-2,5-dimethoxy-1,3-thiazole has a molecular weight of 201.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5-dimethoxy-1,3-thiazole is sourced from PubChem (CID 146379772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).