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

C25H19N3O4S — CID 1382375

IUPAC3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccccc1/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1-c1ccccc1OC
InChIInChI=1S/C25H19N3O4S/c1-31-19-13-7-5-11-17(19)27-25-28(18-12-6-8-14-20(18)32-2)24(30)22(33-25)21-15-9-3-4-10-16(15)26-23(21)29/h3-14,30H,1-2H3/b27-25-
InChIKeyVNTQFZLAUCJPRX-RFBIWTDZSA-N
MW457.51 g/mol
LogP2.85
Rot. Bonds5

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

3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one (PubChem CID 1382375) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one
PubChem CID1382375
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC Name3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccccc1/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1-c1ccccc1OC
InChIInChI=1S/C25H19N3O4S/c1-31-19-13-7-5-11-17(19)27-25-28(18-12-6-8-14-20(18)32-2)24(30)22(33-25)21-15-9-3-4-10-16(15)26-23(21)29/h3-14,30H,1-2H3/b27-25-
InChIKeyVNTQFZLAUCJPRX-RFBIWTDZSA-N
XLogP2.85
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one (CID 1382375) is 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one is COc1ccccc1/N=c1\sc(C2=c3ccccc3=NC2=O)c(O)n1-c1ccccc1OC.
What is the InChIKey of 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is VNTQFZLAUCJPRX-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-31-19-13-7-5-11-17(19)27-25-28(18-12-6-8-14-20(18)32-2)24(30)22(33-25)21-15-9-3-4-10-16(15)26-23(21)29/h3-14,30H,1-2H3/b27-25-.
What are the key properties of 3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-3-(2-methoxyphenyl)-2-(2-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-(2-methoxyphenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 1382375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).