3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one

C25H19N3O4S — CID 1235117

About 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one

3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1235117) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

• Compound Name: 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one
• PubChem CID: 1235117
• Molecular Formula: C25H19N3O4S
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.11
• IUPAC Name: 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one
• SMILES: COc1ccc(/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2-c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C25H19N3O4S/c1-31-17-11-7-15(8-12-17)26-25-28(16-9-13-18(32-2)14-10-16)24(30)22(33-25)21-19-5-3-4-6-20(19)27-23(21)29/h3-14,30H,1-2H3/b26-25-
• InChIKey: SGPNRSMPLXPVKX-QPLCGJKRSA-N
• XLogP: 2.85
• TPSA: 85.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?

The IUPAC name of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one (CID 1235117) is 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one.

What is the SMILES notation for 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?

The canonical SMILES for 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one is COc1ccc(/N=c2\sc(C3=c4ccccc4=NC3=O)c(O)n2-c2ccc(OC)cc2)cc1.

What is the InChIKey of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?

The InChIKey is SGPNRSMPLXPVKX-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-31-17-11-7-15(8-12-17)26-25-28(16-9-13-18(32-2)14-10-16)24(30)22(33-25)21-19-5-3-4-6-20(19)27-23(21)29/h3-14,30H,1-2H3/b26-25-.

What are the key properties of 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?

3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 457.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-hydroxy-3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1235117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).