3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

C23H21N3O4S — CID 4898489

IUPAC3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
SMILESO=C(CCn1c(O)c(C=C2C=Nc3ccccc32)sc1=O)NCCc1ccc(O)cc1
InChIInChI=1S/C23H21N3O4S/c27-17-7-5-15(6-8-17)9-11-24-21(28)10-12-26-22(29)20(31-23(26)30)13-16-14-25-19-4-2-1-3-18(16)19/h1-8,13-14,27,29H,9-12H2,(H,24,28)
InChIKeyQHQZHLIACGGBGR-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.33
Rot. Bonds7

About 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide (PubChem CID 4898489) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
PubChem CID4898489
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
SMILESO=C(CCn1c(O)c(C=C2C=Nc3ccccc32)sc1=O)NCCc1ccc(O)cc1
InChIInChI=1S/C23H21N3O4S/c27-17-7-5-15(6-8-17)9-11-24-21(28)10-12-26-22(29)20(31-23(26)30)13-16-14-25-19-4-2-1-3-18(16)19/h1-8,13-14,27,29H,9-12H2,(H,24,28)
InChIKeyQHQZHLIACGGBGR-UHFFFAOYSA-N
XLogP3.33
TPSA103.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide (CID 4898489) is 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide is O=C(CCn1c(O)c(C=C2C=Nc3ccccc32)sc1=O)NCCc1ccc(O)cc1.
What is the InChIKey of 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
The InChIKey is QHQZHLIACGGBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c27-17-7-5-15(6-8-17)9-11-24-21(28)10-12-26-22(29)20(31-23(26)30)13-16-14-25-19-4-2-1-3-18(16)19/h1-8,13-14,27,29H,9-12H2,(H,24,28).
What are the key properties of 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide?
3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide has a molecular weight of 435.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide is sourced from PubChem (CID 4898489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).