2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol

C22H21N3OS — CID 136790804

About 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol

2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol (PubChem CID 136790804) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
• PubChem CID: 136790804
• Molecular Formula: C22H21N3OS
• Molecular Weight: 375.50 g/mol
• Exact Mass: 375.14
• IUPAC Name: 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
• SMILES: CC1=Nc2ccccc2/C1=C\c1s/c(=N\c2c(C)cccc2C)n(C)c1O
• InChI: InChI=1S/C22H21N3OS/c1-13-8-7-9-14(2)20(13)24-22-25(4)21(26)19(27-22)12-17-15(3)23-18-11-6-5-10-16(17)18/h5-12,26H,1-4H3/b17-12-,24-22-
• InChIKey: NKVUKIIFGXDCCF-QFLUIHSUSA-N
• XLogP: 5.29
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.50
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?

The IUPAC name of 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol (CID 136790804) is 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol.

What is the SMILES notation for 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?

The canonical SMILES for 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol is CC1=Nc2ccccc2/C1=C\c1s/c(=N\c2c(C)cccc2C)n(C)c1O.

What is the InChIKey of 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?

The InChIKey is NKVUKIIFGXDCCF-QFLUIHSUSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-13-8-7-9-14(2)20(13)24-22-25(4)21(26)19(27-22)12-17-15(3)23-18-11-6-5-10-16(17)18/h5-12,26H,1-4H3/b17-12-,24-22-.

What are the key properties of 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol?

2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol has a molecular weight of 375.50 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethylphenyl)imino-3-methyl-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 136790804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).