4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one

C18H12N2O2S — CID 1205911

IUPAC4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one
SMILESO=c1sc(C=C2C=Nc3ccccc32)c(O)n1-c1ccccc1
InChIInChI=1S/C18H12N2O2S/c21-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(22)20(17)13-6-2-1-3-7-13/h1-11,21H
InChIKeyQGZHUXXTILGATH-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.86
Rot. Bonds2

About 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one

4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one (PubChem CID 1205911) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one
PubChem CID1205911
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one
SMILESO=c1sc(C=C2C=Nc3ccccc32)c(O)n1-c1ccccc1
InChIInChI=1S/C18H12N2O2S/c21-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(22)20(17)13-6-2-1-3-7-13/h1-11,21H
InChIKeyQGZHUXXTILGATH-UHFFFAOYSA-N
XLogP3.86
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 136174827
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CID 1215260
CID 1215260
CID 1543949
CID 1543949
CID 135467632
CID 135467632
CID 135467645
CID 135467645
CID 1349272
CID 1349272
CID 135440866
CID 135440866
CID 135522043
CID 135522043
CID 1229079
CID 1229079
CID 1232278
CID 1232278

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one (CID 1205911) is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one is O=c1sc(C=C2C=Nc3ccccc32)c(O)n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one?
The InChIKey is QGZHUXXTILGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(22)20(17)13-6-2-1-3-7-13/h1-11,21H.
What are the key properties of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one?
4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one has a molecular weight of 320.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-phenyl-1,3-thiazol-2-one is sourced from PubChem (CID 1205911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).