N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide

C11H10N4O3S — CID 164611422

IUPACN-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide
SMILESCC/N=C1\SC(=O)C(=O)N1NC(=O)c1ccncc1
InChIInChI=1S/C11H10N4O3S/c1-2-13-11-15(9(17)10(18)19-11)14-8(16)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H,14,16)/b13-11-
InChIKeyXTWDTMLVQXOSCS-QBFSEMIESA-N
MW278.29 g/mol
LogP0.20
Rot. Bonds3

About N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide

N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide (PubChem CID 164611422) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide
PubChem CID164611422
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC NameN-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide
SMILESCC/N=C1\SC(=O)C(=O)N1NC(=O)c1ccncc1
InChIInChI=1S/C11H10N4O3S/c1-2-13-11-15(9(17)10(18)19-11)14-8(16)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H,14,16)/b13-11-
InChIKeyXTWDTMLVQXOSCS-QBFSEMIESA-N
XLogP0.20
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide (CID 164611422) is N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide is CC/N=C1\SC(=O)C(=O)N1NC(=O)c1ccncc1.
What is the InChIKey of N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is XTWDTMLVQXOSCS-QBFSEMIESA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-2-13-11-15(9(17)10(18)19-11)14-8(16)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H,14,16)/b13-11-.
What are the key properties of N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide?
N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 278.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylimino-4,5-dioxo-1,3-thiazolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164611422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).