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

C15H7ClN2O3S2 — CID 118090229

IUPAC(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(Cl)s4)c3o2)S1
InChIInChI=1S/C15H7ClN2O3S2/c16-12-2-1-10(22-12)9-6-17-5-7-3-8(21-13(7)9)4-11-14(19)18-15(20)23-11/h1-6H,(H,18,19,20)/b11-4-
InChIKeyMYWASUCEMNQIJD-WCIBSUBMSA-N
MW362.82 g/mol
LogP4.53
Rot. Bonds2

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

(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090229) has the molecular formula C15H7ClN2O3S2 and a molecular weight of 362.82 g/mol. Its IUPAC name is (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090229
Molecular FormulaC15H7ClN2O3S2
Molecular Weight362.82 g/mol
Exact Mass361.96
IUPAC Name(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(Cl)s4)c3o2)S1
InChIInChI=1S/C15H7ClN2O3S2/c16-12-2-1-10(22-12)9-6-17-5-7-3-8(21-13(7)9)4-11-14(19)18-15(20)23-11/h1-6H,(H,18,19,20)/b11-4-
InChIKeyMYWASUCEMNQIJD-WCIBSUBMSA-N
XLogP4.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090074
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 154180821
(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089897
4-[2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzenesulfonamide
CID 118089440
(5Z)-5-[[7-(2-chloro-4-morpholin-4-ylsulfonylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089927
(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090590
(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090757
(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090108
(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090369

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118090229) is (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(-c4ccc(Cl)s4)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MYWASUCEMNQIJD-WCIBSUBMSA-N. The full InChI is InChI=1S/C15H7ClN2O3S2/c16-12-2-1-10(22-12)9-6-17-5-7-3-8(21-13(7)9)4-11-14(19)18-15(20)23-11/h1-6H,(H,18,19,20)/b11-4-.
What are the key properties of (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 362.82 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(5-chlorothiophen-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).