2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline

C106H90N12OS — CID 160970757

About 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline

2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline (PubChem CID 160970757) has the molecular formula C106H90N12OS and a molecular weight of 1580.04 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline.

Molecular Properties

• Compound Name: 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline
• PubChem CID: 160970757
• Molecular Formula: C106H90N12OS
• Molecular Weight: 1580.04 g/mol
• Exact Mass: 1578.71
• IUPAC Name: 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline
• SMILES: Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc2ccccc2c(-c2ccccc2)n1.Cc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1
• InChI: InChI=1S/2C16H13N.C15H12N2.C14H12N2.2C10H9N.C9H8N2.C8H7NO.C8H7NS/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-14-9-5-6-10-15(14)16(17-12)13-7-3-2-4-8-13;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;2*1-6-9-7-4-2-3-5-8(7)10-6/h2*2-11H,1H3;2-10H,1H3;2-10H,1H3;2*2-7H,1H3;2-6H,1H3;2*2-5H,1H3
• InChIKey: SYFKDADWVHTSAQ-UHFFFAOYSA-N
• XLogP: 27.13
• TPSA: 159.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.04
LogP ≤ 5	27.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline?

The IUPAC name of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline (CID 160970757) is 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline.

What is the SMILES notation for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline?

The canonical SMILES for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline is Cc1cc(-c2ccccc2)c2ccccc2n1.Cc1cc2ccccc2c(-c2ccccc2)n1.Cc1cc2ccccc2cn1.Cc1ccc2ccccc2n1.Cc1nc(-c2ccccc2)c2ccccc2n1.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc2ccccc2n1.

What is the InChIKey of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline?

The InChIKey is SYFKDADWVHTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13N.C15H12N2.C14H12N2.2C10H9N.C9H8N2.C8H7NO.C8H7NS/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12;1-12-11-14-9-5-6-10-15(14)16(17-12)13-7-3-2-4-8-13;1-11-16-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-10-6-8-4-2-3-5-9(8)11-7;2*1-6-9-7-4-2-3-5-8(7)10-6/h2*2-11H,1H3;2-10H,1H3;2-10H,1H3;2*2-7H,1H3;2-6H,1H3;2*2-5H,1H3.

What are the key properties of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline?

2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline has a molecular weight of 1580.04 g/mol, XLogP of 27.13, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;2-methyl-1-phenylbenzimidazole;3-methyl-1-phenylisoquinoline;2-methyl-4-phenylquinazoline;2-methyl-4-phenylquinoline;2-methylquinazoline;2-methylquinoline is sourced from PubChem (CID 160970757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).