3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol

C21H19N3OS — CID 135589576

About 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol

3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol (PubChem CID 135589576) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol
• PubChem CID: 135589576
• Molecular Formula: C21H19N3OS
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.12
• IUPAC Name: 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol
• SMILES: CC1=Nc2ccccc2/C1=C/c1s/c(=N/c2ccccc2C)n(C)c1O
• InChI: InChI=1S/C21H19N3OS/c1-13-8-4-6-10-17(13)23-21-24(3)20(25)19(26-21)12-16-14(2)22-18-11-7-5-9-15(16)18/h4-12,25H,1-3H3/b16-12+,23-21+
• InChIKey: YCDHLXHWWVCGGB-RVAJKWNASA-N
• XLogP: 4.98
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol (CID 135589576) is 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol.

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

The canonical SMILES for 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol is CC1=Nc2ccccc2/C1=C/c1s/c(=N/c2ccccc2C)n(C)c1O.

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

The InChIKey is YCDHLXHWWVCGGB-RVAJKWNASA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-8-4-6-10-17(13)23-21-24(3)20(25)19(26-21)12-16-14(2)22-18-11-7-5-9-15(16)18/h4-12,25H,1-3H3/b16-12+,23-21+.

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

3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol has a molecular weight of 361.47 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol is sourced from PubChem (CID 135589576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).