2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole

C71H72ClN11O2S3 — CID 159216883

About 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole

2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole (PubChem CID 159216883) has the molecular formula C71H72ClN11O2S3 and a molecular weight of 1243.09 g/mol. Its IUPAC name is 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole
• PubChem CID: 159216883
• Molecular Formula: C71H72ClN11O2S3
• Molecular Weight: 1243.09 g/mol
• Exact Mass: 1241.47
• IUPAC Name: 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole
• SMILES: Cc1cn(-c2ccccc2)cn1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnc(C)[nH]1.Cc1coc(-c2ccc(Cl)cc2)n1.Cc1coc(-c2ccccc2)n1.Cc1csc(-c2ccccc2)n1.Cc1csc(C)n1.Cc1csc(Cc2ccccc2)n1
• InChI: InChI=1S/C11H11NS.C10H8ClNO.2C10H10N2.C10H9NO.C10H9NS.C5H8N2.C5H7NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-9-7-12(8-11-9)10-5-3-2-4-6-10;1-8-7-11-10(12-8)9-5-3-2-4-6-9;2*1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4/h2-6,8H,7H2,1H3;2-6H,1H3;2-8H,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;3H,1-2H3,(H,6,7);3H,1-2H3
• InChIKey: KREMRWQGRXJANK-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 165.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1243.09
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole?

The IUPAC name of 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole (CID 159216883) is 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole.

What is the SMILES notation for 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole?

The canonical SMILES for 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole is Cc1cn(-c2ccccc2)cn1.Cc1cnc(-c2ccccc2)[nH]1.Cc1cnc(C)[nH]1.Cc1coc(-c2ccc(Cl)cc2)n1.Cc1coc(-c2ccccc2)n1.Cc1csc(-c2ccccc2)n1.Cc1csc(C)n1.Cc1csc(Cc2ccccc2)n1.

What is the InChIKey of 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole?

The InChIKey is KREMRWQGRXJANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C10H8ClNO.2C10H10N2.C10H9NO.C10H9NS.C5H8N2.C5H7NS/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-9-7-12(8-11-9)10-5-3-2-4-6-10;1-8-7-11-10(12-8)9-5-3-2-4-6-9;2*1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4/h2-6,8H,7H2,1H3;2-6H,1H3;2-8H,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;3H,1-2H3,(H,6,7);3H,1-2H3.

What are the key properties of 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole?

2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole has a molecular weight of 1243.09 g/mol, XLogP of 19.47, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-4-methyl-1,3-thiazole;2-(4-chlorophenyl)-4-methyl-1,3-oxazole;2,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-thiazole;4-methyl-1-phenylimidazole;5-methyl-2-phenyl-1H-imidazole;4-methyl-2-phenyl-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 159216883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).