6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide

C14H12N4O3S — CID 74319536

IUPAC6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc2ccc(C=C3SC(=O)NC3=O)cn12
InChIInChI=1S/C14H12N4O3S/c1-2-15-12(19)9-6-16-11-4-3-8(7-18(9)11)5-10-13(20)17-14(21)22-10/h3-7H,2H2,1H3,(H,15,19)(H,17,20,21)
InChIKeyPJQRQFKQNRIHHG-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.41
Rot. Bonds3

About 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide

6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 74319536) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID74319536
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc2ccc(C=C3SC(=O)NC3=O)cn12
InChIInChI=1S/C14H12N4O3S/c1-2-15-12(19)9-6-16-11-4-3-8(7-18(9)11)5-10-13(20)17-14(21)22-10/h3-7H,2H2,1H3,(H,15,19)(H,17,20,21)
InChIKeyPJQRQFKQNRIHHG-UHFFFAOYSA-N
XLogP1.41
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 74319536) is 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCNC(=O)c1cnc2ccc(C=C3SC(=O)NC3=O)cn12.
What is the InChIKey of 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PJQRQFKQNRIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-2-15-12(19)9-6-16-11-4-3-8(7-18(9)11)5-10-13(20)17-14(21)22-10/h3-7H,2H2,1H3,(H,15,19)(H,17,20,21).
What are the key properties of 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide?
6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-N-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 74319536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).