2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide

C16H16N4O2S — CID 90828726

IUPAC2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC
InChIInChI=1S/C16H16N4O2S/c1-3-18-14(21)12(10-17)16-20(4-2)15(22)13(23-16)9-11-7-5-6-8-19-11/h5-9H,3-4H2,1-2H3,(H,18,21)
InChIKeyKLBHEMZEULZMQK-UHFFFAOYSA-N
MW328.40 g/mol
LogP-0.04
Rot. Bonds4

About 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 90828726) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID90828726
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC
InChIInChI=1S/C16H16N4O2S/c1-3-18-14(21)12(10-17)16-20(4-2)15(22)13(23-16)9-11-7-5-6-8-19-11/h5-9H,3-4H2,1-2H3,(H,18,21)
InChIKeyKLBHEMZEULZMQK-UHFFFAOYSA-N
XLogP-0.04
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (CID 90828726) is 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC.
What is the InChIKey of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is KLBHEMZEULZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-18-14(21)12(10-17)16-20(4-2)15(22)13(23-16)9-11-7-5-6-8-19-11/h5-9H,3-4H2,1-2H3,(H,18,21).
What are the key properties of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 328.40 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 90828726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).