5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide

C24H15N3O4S2 — CID 25211846

IUPAC5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4ccc(C(=O)Nc5ccc(O)cc5)s4)c3c2)S1
InChIInChI=1S/C24H15N3O4S2/c28-15-4-2-14(3-5-15)26-22(29)20-8-7-19(32-20)16-9-10-25-18-6-1-13(11-17(16)18)12-21-23(30)27-24(31)33-21/h1-12,28H,(H,26,29)(H,27,30,31)/b21-12+
InChIKeyWWSNTKHBLFMHAJ-CIAFOILYSA-N
MW473.54 g/mol
LogP5.25
Rot. Bonds4

About 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide

5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 25211846) has the molecular formula C24H15N3O4S2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID25211846
Molecular FormulaC24H15N3O4S2
Molecular Weight473.54 g/mol
Exact Mass473.05
IUPAC Name5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4ccc(C(=O)Nc5ccc(O)cc5)s4)c3c2)S1
InChIInChI=1S/C24H15N3O4S2/c28-15-4-2-14(3-5-15)26-22(29)20-8-7-19(32-20)16-9-10-25-18-6-1-13(11-17(16)18)12-21-23(30)27-24(31)33-21/h1-12,28H,(H,26,29)(H,27,30,31)/b21-12+
InChIKeyWWSNTKHBLFMHAJ-CIAFOILYSA-N
XLogP5.25
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide (CID 25211846) is 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide is O=C1NC(=O)/C(=C\c2ccc3nccc(-c4ccc(C(=O)Nc5ccc(O)cc5)s4)c3c2)S1.
What is the InChIKey of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is WWSNTKHBLFMHAJ-CIAFOILYSA-N. The full InChI is InChI=1S/C24H15N3O4S2/c28-15-4-2-14(3-5-15)26-22(29)20-8-7-19(32-20)16-9-10-25-18-6-1-13(11-17(16)18)12-21-23(30)27-24(31)33-21/h1-12,28H,(H,26,29)(H,27,30,31)/b21-12+.
What are the key properties of 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide?
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 5.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(4-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 25211846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).