3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

C19H14N2O3S — CID 4753331

IUPAC3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cc(C=C2SC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21
InChIInChI=1S/C19H14N2O3S/c1-20-11-12(15-7-2-3-8-16(15)20)9-17-18(23)21(19(24)25-17)13-5-4-6-14(22)10-13/h2-11,22H,1H3
InChIKeyHCMPIIGDQRILEA-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.12
Rot. Bonds2

About 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione

3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 4753331) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID4753331
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cc(C=C2SC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21
InChIInChI=1S/C19H14N2O3S/c1-20-11-12(15-7-2-3-8-16(15)20)9-17-18(23)21(19(24)25-17)13-5-4-6-14(22)10-13/h2-11,22H,1H3
InChIKeyHCMPIIGDQRILEA-UHFFFAOYSA-N
XLogP4.12
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
3-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 2023109
(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839883
3-(3-methoxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5127099
(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126221370
(5Z)-2-(3-hydroxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529570
2-hydroxy-4-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 18880414
4-[[3-(3-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763216
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6200674
(5E)-5-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126217123
2-[3-[(Z)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 126132958

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 4753331) is 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cn1cc(C=C2SC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21.
What is the InChIKey of 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HCMPIIGDQRILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c1-20-11-12(15-7-2-3-8-16(15)20)9-17-18(23)21(19(24)25-17)13-5-4-6-14(22)10-13/h2-11,22H,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione?
3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 350.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4753331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).