(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C18H9N3O3S2 — CID 118090074

IUPAC(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3cncc(-c4nc5ccccc5s4)c3o2)S1
InChIInChI=1S/C18H9N3O3S2/c22-16-14(26-18(23)21-16)6-10-5-9-7-19-8-11(15(9)24-10)17-20-12-3-1-2-4-13(12)25-17/h1-8H,(H,21,22,23)/b14-6+
InChIKeyYQLFOANUOQNPLJ-MKMNVTDBSA-N
MW379.42 g/mol
LogP4.43
Rot. Bonds2

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

(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090074) has the molecular formula C18H9N3O3S2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090074
Molecular FormulaC18H9N3O3S2
Molecular Weight379.42 g/mol
Exact Mass379.01
IUPAC Name(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc3cncc(-c4nc5ccccc5s4)c3o2)S1
InChIInChI=1S/C18H9N3O3S2/c22-16-14(26-18(23)21-16)6-10-5-9-7-19-8-11(15(9)24-10)17-20-12-3-1-2-4-13(12)25-17/h1-8H,(H,21,22,23)/b14-6+
InChIKeyYQLFOANUOQNPLJ-MKMNVTDBSA-N
XLogP4.43
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090229
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(5E)-5-[[7-(4-amino-3-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090194
4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118089440
3-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzonitrile
CID 154155699
(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090369
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
(5Z)-5-[[7-[2-(2-hydroxyphenyl)ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090722
5-[[7-(3-pyridin-4-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154114414
N-[3-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 118090255
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090074) is (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc3cncc(-c4nc5ccccc5s4)c3o2)S1.
What is the InChIKey of (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YQLFOANUOQNPLJ-MKMNVTDBSA-N. The full InChI is InChI=1S/C18H9N3O3S2/c22-16-14(26-18(23)21-16)6-10-5-9-7-19-8-11(15(9)24-10)17-20-12-3-1-2-4-13(12)25-17/h1-8H,(H,21,22,23)/b14-6+.
What are the key properties of (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).