2-benzyl-4,5-dimethyl-1,3-thiazole

C12H13NS — CID 21218656

IUPAC2-benzyl-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cc2ccccc2)sc1C
InChIInChI=1S/C12H13NS/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyCUOQHURHGKPELL-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.35
Rot. Bonds2

About 2-benzyl-4,5-dimethyl-1,3-thiazole

2-benzyl-4,5-dimethyl-1,3-thiazole (PubChem CID 21218656) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-benzyl-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4,5-dimethyl-1,3-thiazole
PubChem CID21218656
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-benzyl-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Cc2ccccc2)sc1C
InChIInChI=1S/C12H13NS/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyCUOQHURHGKPELL-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-4,5-dimethyl-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

Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-Methyl-5-phenyl-thiazol-2-ylamine
CID 244067
2-Methyl-4,5-diphenylthiazole
CID 77365
Thiazole, 2-methyl-4-(2-phenylethynyl)-
CID 10921526
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
4-Methyl-2-phenylethynyl-thiazole
CID 11769507
Thiazole, triphenyl-
CID 1712256
1-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-1-ethanone oxime
CID 9581906
Thiazole, 2-chloro-5-methyl-4-phenyl-
CID 208191
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
5-Benzyl-4-methyl-1,3-thiazol-2-amine
CID 12384129

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-benzyl-4,5-dimethyl-1,3-thiazole (CID 21218656) is 2-benzyl-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-benzyl-4,5-dimethyl-1,3-thiazole is Cc1nc(Cc2ccccc2)sc1C.
What is the InChIKey of 2-benzyl-4,5-dimethyl-1,3-thiazole?
The InChIKey is CUOQHURHGKPELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-10(2)14-12(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-benzyl-4,5-dimethyl-1,3-thiazole?
2-benzyl-4,5-dimethyl-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 21218656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).