2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide

C19H13N3O5S — CID 118089992

IUPAC2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)c1
InChIInChI=1S/C19H13N3O5S/c1-26-12-4-2-3-11(6-12)21-17(23)14-9-20-8-10-5-13(27-16(10)14)7-15-18(24)22-19(25)28-15/h2-9H,1H3,(H,21,23)(H,22,24,25)/b15-7+
InChIKeyRATNOCVCWPGWKW-VIZOYTHASA-N
MW395.40 g/mol
LogP3.41
Rot. Bonds4

About 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide

2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide (PubChem CID 118089992) has the molecular formula C19H13N3O5S and a molecular weight of 395.40 g/mol. Its IUPAC name is 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide
PubChem CID118089992
Molecular FormulaC19H13N3O5S
Molecular Weight395.40 g/mol
Exact Mass395.06
IUPAC Name2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)c1
InChIInChI=1S/C19H13N3O5S/c1-26-12-4-2-3-11(6-12)21-17(23)14-9-20-8-10-5-13(27-16(10)14)7-15-18(24)22-19(25)28-15/h2-9H,1H3,(H,21,23)(H,22,24,25)/b15-7+
InChIKeyRATNOCVCWPGWKW-VIZOYTHASA-N
XLogP3.41
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide (CID 118089992) is 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide is COc1cccc(NC(=O)c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)c1.
What is the InChIKey of 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide?
The InChIKey is RATNOCVCWPGWKW-VIZOYTHASA-N. The full InChI is InChI=1S/C19H13N3O5S/c1-26-12-4-2-3-11(6-12)21-17(23)14-9-20-8-10-5-13(27-16(10)14)7-15-18(24)22-19(25)28-15/h2-9H,1H3,(H,21,23)(H,22,24,25)/b15-7+.
What are the key properties of 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide?
2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-(3-methoxyphenyl)furo[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 118089992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).