5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol

C17H15N5O2S2 — CID 135904014

About 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol

5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol (PubChem CID 135904014) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol
• PubChem CID: 135904014
• Molecular Formula: C17H15N5O2S2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.07
• IUPAC Name: 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol
• SMILES: COc1ccc2c(c1)N=CC2=Cc1sc(=Nc2nnc(C)s2)n(C)c1O
• InChI: InChI=1S/C17H15N5O2S2/c1-9-20-21-16(25-9)19-17-22(2)15(23)14(26-17)6-10-8-18-13-7-11(24-3)4-5-12(10)13/h4-8,23H,1-3H3
• InChIKey: CSWUSMOURWVJDD-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 84.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol (CID 135904014) is 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol.

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

The canonical SMILES for 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol is COc1ccc2c(c1)N=CC2=Cc1sc(=Nc2nnc(C)s2)n(C)c1O.

What is the InChIKey of 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol?

The InChIKey is CSWUSMOURWVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-9-20-21-16(25-9)19-17-22(2)15(23)14(26-17)6-10-8-18-13-7-11(24-3)4-5-12(10)13/h4-8,23H,1-3H3.

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

5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol has a molecular weight of 385.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol is sourced from PubChem (CID 135904014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).