3,4-dimethyl-5-propan-2-yl-1,2-thiazole

C8H13NS — CID 58374069

IUPAC3,4-dimethyl-5-propan-2-yl-1,2-thiazole
SMILESCc1nsc(C(C)C)c1C
InChIInChI=1S/C8H13NS/c1-5(2)8-6(3)7(4)9-10-8/h5H,1-4H3
InChIKeyOZALHOPAHMJYKB-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.88
Rot. Bonds1

About 3,4-dimethyl-5-propan-2-yl-1,2-thiazole

3,4-dimethyl-5-propan-2-yl-1,2-thiazole (PubChem CID 58374069) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-1,2-thiazole
PubChem CID58374069
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name3,4-dimethyl-5-propan-2-yl-1,2-thiazole
SMILESCc1nsc(C(C)C)c1C
InChIInChI=1S/C8H13NS/c1-5(2)8-6(3)7(4)9-10-8/h5H,1-4H3
InChIKeyOZALHOPAHMJYKB-UHFFFAOYSA-N
XLogP2.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-5-propan-2-yl-1,2-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 3,4-dimethyl-5-propan-2-yl-1,2-thiazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-thiazole (CID 58374069) is 3,4-dimethyl-5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-thiazole is Cc1nsc(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-thiazole?
The InChIKey is OZALHOPAHMJYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-5(2)8-6(3)7(4)9-10-8/h5H,1-4H3.
What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-thiazole?
3,4-dimethyl-5-propan-2-yl-1,2-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 58374069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).