(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

C20H15N3O2S2 — CID 25211849

IUPAC(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4cc5c(s4)CCNC5)c3c2)S1
InChIInChI=1S/C20H15N3O2S2/c24-19-18(27-20(25)23-19)8-11-1-2-15-14(7-11)13(3-6-22-15)17-9-12-10-21-5-4-16(12)26-17/h1-3,6-9,21H,4-5,10H2,(H,23,24,25)/b18-8+
InChIKeySYOCTZROHPWIEL-QGMBQPNBSA-N
MW393.49 g/mol
LogP3.93
Rot. Bonds2

About (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 25211849) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID25211849
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC Name(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc3nccc(-c4cc5c(s4)CCNC5)c3c2)S1
InChIInChI=1S/C20H15N3O2S2/c24-19-18(27-20(25)23-19)8-11-1-2-15-14(7-11)13(3-6-22-15)17-9-12-10-21-5-4-16(12)26-17/h1-3,6-9,21H,4-5,10H2,(H,23,24,25)/b18-8+
InChIKeySYOCTZROHPWIEL-QGMBQPNBSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[4-(5-chlorothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87656797
(5E)-5-[[4-(1-benzothiophen-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211645
(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658356
(5E)-5-[[4-(4-methylthiophen-3-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211751
(5Z)-5-[[4-[5-(2,6-dimethoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211749
(5E)-5-[[4-[5-(3-methoxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212048
(5E)-5-[[4-[5-(3-propan-2-yloxyphenyl)thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25211748
(5E)-5-[[4-[5-[2-(3-hydroxyphenyl)ethynyl]thiophen-2-yl]quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25212049
5-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 25211845
N-butyl-3-[5-[6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]quinolin-4-yl]thiophen-2-yl]benzenesulfonamide
CID 87633925
(5Z)-5-[(4-phenylquinazolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 11616947
5-[[4-(furan-2-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74430618

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 25211849) is (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc3nccc(-c4cc5c(s4)CCNC5)c3c2)S1.
What is the InChIKey of (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SYOCTZROHPWIEL-QGMBQPNBSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c24-19-18(27-20(25)23-19)8-11-1-2-15-14(7-11)13(3-6-22-15)17-9-12-10-21-5-4-16(12)26-17/h1-3,6-9,21H,4-5,10H2,(H,23,24,25)/b18-8+.
What are the key properties of (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)quinolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 25211849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).