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

C27H23N3OS — CID 137152093

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

5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 137152093) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol
• PubChem CID: 137152093
• Molecular Formula: C27H23N3OS
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.16
• IUPAC Name: 5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol
• SMILES: CC1=Nc2ccccc2C1=Cc1s/c(=N/c2ccccc2)n(CCc2ccccc2)c1O
• InChI: InChI=1S/C27H23N3OS/c1-19-23(22-14-8-9-15-24(22)28-19)18-25-26(31)30(17-16-20-10-4-2-5-11-20)27(32-25)29-21-12-6-3-7-13-21/h2-15,18,31H,16-17H2,1H3/b23-18?,29-27+
• InChIKey: XRFQYDNGEURWJN-POEMTPJZSA-N
• XLogP: 6.38
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	6.38
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-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol?

The IUPAC name of 5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol (CID 137152093) is 5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol.

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

The canonical SMILES for 5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol is CC1=Nc2ccccc2C1=Cc1s/c(=N/c2ccccc2)n(CCc2ccccc2)c1O.

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

The InChIKey is XRFQYDNGEURWJN-POEMTPJZSA-N. The full InChI is InChI=1S/C27H23N3OS/c1-19-23(22-14-8-9-15-24(22)28-19)18-25-26(31)30(17-16-20-10-4-2-5-11-20)27(32-25)29-21-12-6-3-7-13-21/h2-15,18,31H,16-17H2,1H3/b23-18?,29-27+.

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

5-[(2-methylindol-3-ylidene)methyl]-3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 437.57 g/mol, XLogP of 6.38, 5 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-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 137152093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).