4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide

C12H16N4O3S — CID 166024027

IUPAC4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide
SMILESCCn1cc(NC(=O)C2CSC(C(N)=O)N2)ccc1=O
InChIInChI=1S/C12H16N4O3S/c1-2-16-5-7(3-4-9(16)17)14-11(19)8-6-20-12(15-8)10(13)18/h3-5,8,12,15H,2,6H2,1H3,(H2,13,18)(H,14,19)
InChIKeyCFEQDNDDKUPKFJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.68
Rot. Bonds4

About 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide

4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide (PubChem CID 166024027) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide
PubChem CID166024027
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide
SMILESCCn1cc(NC(=O)C2CSC(C(N)=O)N2)ccc1=O
InChIInChI=1S/C12H16N4O3S/c1-2-16-5-7(3-4-9(16)17)14-11(19)8-6-20-12(15-8)10(13)18/h3-5,8,12,15H,2,6H2,1H3,(H2,13,18)(H,14,19)
InChIKeyCFEQDNDDKUPKFJ-UHFFFAOYSA-N
XLogP-0.68
TPSA106.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide?
The IUPAC name of 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide (CID 166024027) is 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide is CCn1cc(NC(=O)C2CSC(C(N)=O)N2)ccc1=O.
What is the InChIKey of 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide?
The InChIKey is CFEQDNDDKUPKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-2-16-5-7(3-4-9(16)17)14-11(19)8-6-20-12(15-8)10(13)18/h3-5,8,12,15H,2,6H2,1H3,(H2,13,18)(H,14,19).
What are the key properties of 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide?
4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide has a molecular weight of 296.35 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethyl-6-oxo-3-pyridinyl)-1,3-thiazolidine-2,4-dicarboxamide is sourced from PubChem (CID 166024027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).