4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one

C18H12N2O2S — CID 136656105

IUPAC4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C=C2C(c3ccccc3)=Nc3ccccc32)s1
InChIInChI=1S/C18H12N2O2S/c21-17-15(23-18(22)20-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,21H,(H,20,22)
InChIKeyGWMAQNYHYRYQOA-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.82
Rot. Bonds2

About 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one (PubChem CID 136656105) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one
PubChem CID136656105
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(C=C2C(c3ccccc3)=Nc3ccccc32)s1
InChIInChI=1S/C18H12N2O2S/c21-17-15(23-18(22)20-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,21H,(H,20,22)
InChIKeyGWMAQNYHYRYQOA-UHFFFAOYSA-N
XLogP3.82
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one 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 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one (CID 136656105) is 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(C=C2C(c3ccccc3)=Nc3ccccc32)s1.
What is the InChIKey of 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GWMAQNYHYRYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17-15(23-18(22)20-17)10-13-12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-10,21H,(H,20,22).
What are the key properties of 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 320.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-phenylindol-3-ylidene)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 136656105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).