5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol

C25H19N3OS — CID 1205499

About 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol

5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 1205499) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
• PubChem CID: 1205499
• Molecular Formula: C25H19N3OS
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.12
• IUPAC Name: 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
• SMILES: CC1=Nc2ccccc2C1=Cc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1O
• InChI: InChI=1S/C25H19N3OS/c1-17-21(20-14-8-9-15-22(20)26-17)16-23-24(29)28(19-12-6-3-7-13-19)25(30-23)27-18-10-4-2-5-11-18/h2-16,29H,1H3/b21-16?,27-25-
• InChIKey: PIYRXJSAHFFPOD-ADEKRFPQSA-N
• XLogP: 6.12
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?

The IUPAC name of 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol (CID 1205499) is 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol.

What is the SMILES notation for 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?

The canonical SMILES for 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol is CC1=Nc2ccccc2C1=Cc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1O.

What is the InChIKey of 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?

The InChIKey is PIYRXJSAHFFPOD-ADEKRFPQSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-17-21(20-14-8-9-15-22(20)26-17)16-23-24(29)28(19-12-6-3-7-13-19)25(30-23)27-18-10-4-2-5-11-18/h2-16,29H,1H3/b21-16?,27-25-.

What are the key properties of 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol?

5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 409.51 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 1205499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).