5-tert-butylthieno[3,2-d][1,3]thiazole

C9H11NS2 — CID 89458077

IUPAC5-tert-butylthieno[3,2-d][1,3]thiazole
SMILESCC(C)(C)c1cc2ncsc2s1
InChIInChI=1S/C9H11NS2/c1-9(2,3)7-4-6-8(12-7)11-5-10-6/h4-5H,1-3H3
InChIKeyXYSQBWOZMCZDRF-UHFFFAOYSA-N
MW197.33 g/mol
LogP3.66
Rot. Bonds

About 5-tert-butylthieno[3,2-d][1,3]thiazole

5-tert-butylthieno[3,2-d][1,3]thiazole (PubChem CID 89458077) has the molecular formula C9H11NS2 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-tert-butylthieno[3,2-d][1,3]thiazole.

Molecular Properties

Compound Name5-tert-butylthieno[3,2-d][1,3]thiazole
PubChem CID89458077
Molecular FormulaC9H11NS2
Molecular Weight197.33 g/mol
Exact Mass197.03
IUPAC Name5-tert-butylthieno[3,2-d][1,3]thiazole
SMILESCC(C)(C)c1cc2ncsc2s1
InChIInChI=1S/C9H11NS2/c1-9(2,3)7-4-6-8(12-7)11-5-10-6/h4-5H,1-3H3
InChIKeyXYSQBWOZMCZDRF-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butylthieno[3,2-d][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 5-tert-butylthieno[3,2-d][1,3]thiazole?
The IUPAC name of 5-tert-butylthieno[3,2-d][1,3]thiazole (CID 89458077) is 5-tert-butylthieno[3,2-d][1,3]thiazole.
What is the SMILES notation for 5-tert-butylthieno[3,2-d][1,3]thiazole?
The canonical SMILES for 5-tert-butylthieno[3,2-d][1,3]thiazole is CC(C)(C)c1cc2ncsc2s1.
What is the InChIKey of 5-tert-butylthieno[3,2-d][1,3]thiazole?
The InChIKey is XYSQBWOZMCZDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS2/c1-9(2,3)7-4-6-8(12-7)11-5-10-6/h4-5H,1-3H3.
What are the key properties of 5-tert-butylthieno[3,2-d][1,3]thiazole?
5-tert-butylthieno[3,2-d][1,3]thiazole has a molecular weight of 197.33 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylthieno[3,2-d][1,3]thiazole is sourced from PubChem (CID 89458077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).