5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol

C17H14N4O2S2 — CID 135924939

About 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol

5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol (PubChem CID 135924939) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
• PubChem CID: 135924939
• Molecular Formula: C17H14N4O2S2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.06
• IUPAC Name: 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
• SMILES: COc1ccc2c(c1)C(=Cc1sc(=Nc3nccs3)n(C)c1O)C=N2
• InChI: InChI=1S/C17H14N4O2S2/c1-21-15(22)14(25-17(21)20-16-18-5-6-24-16)7-10-9-19-13-4-3-11(23-2)8-12(10)13/h3-9,22H,1-2H3
• InChIKey: LNRQTMLUTONETO-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 72.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol (CID 135924939) is 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol.

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

The canonical SMILES for 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol is COc1ccc2c(c1)C(=Cc1sc(=Nc3nccs3)n(C)c1O)C=N2.

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

The InChIKey is LNRQTMLUTONETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-21-15(22)14(25-17(21)20-16-18-5-6-24-16)7-10-9-19-13-4-3-11(23-2)8-12(10)13/h3-9,22H,1-2H3.

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

5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol has a molecular weight of 370.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol is sourced from PubChem (CID 135924939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).