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

C15H15N3O2S2 — CID 91372698

IUPAC2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC
InChIInChI=1S/C15H15N3O2S2/c1-3-17-13(19)11(9-16)15-18(4-2)14(20)12(22-15)8-10-6-5-7-21-10/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKeyHOFBGNVQRWRPAI-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.63
Rot. Bonds4

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

2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 91372698) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID91372698
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC
InChIInChI=1S/C15H15N3O2S2/c1-3-17-13(19)11(9-16)15-18(4-2)14(20)12(22-15)8-10-6-5-7-21-10/h5-8H,3-4H2,1-2H3,(H,17,19)
InChIKeyHOFBGNVQRWRPAI-UHFFFAOYSA-N
XLogP0.63
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.63
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-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (CID 91372698) is 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC.
What is the InChIKey of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is HOFBGNVQRWRPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-3-17-13(19)11(9-16)15-18(4-2)14(20)12(22-15)8-10-6-5-7-21-10/h5-8H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?
2-cyano-N-ethyl-2-[3-ethyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.63, 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-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 91372698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).