5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile

C19H11N3O4S — CID 118090415

IUPAC5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile
SMILESCOc1ccc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1C#N
InChIInChI=1S/C19H11N3O4S/c1-25-15-3-2-10(4-11(15)7-20)14-9-21-8-12-5-13(26-17(12)14)6-16-18(23)22-19(24)27-16/h2-6,8-9H,1H3,(H,22,23,24)/b16-6-
InChIKeyKLMYEJMRCGTGLK-SOFYXZRVSA-N
MW377.38 g/mol
LogP3.70
Rot. Bonds3

About 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile

5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile (PubChem CID 118090415) has the molecular formula C19H11N3O4S and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile
PubChem CID118090415
Molecular FormulaC19H11N3O4S
Molecular Weight377.38 g/mol
Exact Mass377.05
IUPAC Name5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile
SMILESCOc1ccc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1C#N
InChIInChI=1S/C19H11N3O4S/c1-25-15-3-2-10(4-11(15)7-20)14-9-21-8-12-5-13(26-17(12)14)6-16-18(23)22-19(24)27-16/h2-6,8-9H,1H3,(H,22,23,24)/b16-6-
InChIKeyKLMYEJMRCGTGLK-SOFYXZRVSA-N
XLogP3.70
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.70
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'}

Analyze 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzonitrile
CID 154155699
2-[3-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]phenoxy]benzonitrile
CID 118090110
(5E)-5-[[7-[4-(methoxymethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090685
(5E)-5-[[7-(4-acetylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090590
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221
(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
(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
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-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
5-[[7-(3-propan-2-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154110495

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile?
The IUPAC name of 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile (CID 118090415) is 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile is COc1ccc(-c2cncc3cc(/C=C4\SC(=O)NC4=O)oc23)cc1C#N.
What is the InChIKey of 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile?
The InChIKey is KLMYEJMRCGTGLK-SOFYXZRVSA-N. The full InChI is InChI=1S/C19H11N3O4S/c1-25-15-3-2-10(4-11(15)7-20)14-9-21-8-12-5-13(26-17(12)14)6-16-18(23)22-19(24)27-16/h2-6,8-9H,1H3,(H,22,23,24)/b16-6-.
What are the key properties of 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile?
5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile has a molecular weight of 377.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-2-methoxybenzonitrile is sourced from PubChem (CID 118090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).