3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol

C22H21N3OS — CID 1233465

About 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol

3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (PubChem CID 1233465) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
• PubChem CID: 1233465
• Molecular Formula: C22H21N3OS
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.14
• IUPAC Name: 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
• SMILES: CCc1ccccc1/N=c1/sc(C=C2C=Nc3ccccc32)c(O)n1CC
• InChI: InChI=1S/C22H21N3OS/c1-3-15-9-5-7-11-18(15)24-22-25(4-2)21(26)20(27-22)13-16-14-23-19-12-8-6-10-17(16)19/h5-14,26H,3-4H2,1-2H3/b16-13?,24-22+
• InChIKey: OGZKEDOWEFOLBZ-ZWTXRNGWSA-N
• XLogP: 5.33
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?

The IUPAC name of 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (CID 1233465) is 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.

What is the SMILES notation for 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?

The canonical SMILES for 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is CCc1ccccc1/N=c1/sc(C=C2C=Nc3ccccc32)c(O)n1CC.

What is the InChIKey of 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?

The InChIKey is OGZKEDOWEFOLBZ-ZWTXRNGWSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-3-15-9-5-7-11-18(15)24-22-25(4-2)21(26)20(27-22)13-16-14-23-19-12-8-6-10-17(16)19/h5-14,26H,3-4H2,1-2H3/b16-13?,24-22+.

What are the key properties of 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?

3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol has a molecular weight of 375.50 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 1233465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).