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

C20H14ClN3O2S2 — CID 4568886

IUPAC2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
SMILESN#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2S2/c21-12-3-7-14(8-4-12)24-19(26)17(10-15-2-1-9-27-15)28-20(24)16(11-22)18(25)23-13-5-6-13/h1-4,7-10,13H,5-6H2,(H,23,25)
InChIKeyAEHMCKANWOKVCN-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.40
Rot. Bonds4

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

2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide (PubChem CID 4568886) has the molecular formula C20H14ClN3O2S2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
PubChem CID4568886
Molecular FormulaC20H14ClN3O2S2
Molecular Weight427.94 g/mol
Exact Mass427.02
IUPAC Name2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide
SMILESN#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2S2/c21-12-3-7-14(8-4-12)24-19(26)17(10-15-2-1-9-27-15)28-20(24)16(11-22)18(25)23-13-5-6-13/h1-4,7-10,13H,5-6H2,(H,23,25)
InChIKeyAEHMCKANWOKVCN-UHFFFAOYSA-N
XLogP2.40
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide (CID 4568886) is 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide is N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide?
The InChIKey is AEHMCKANWOKVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S2/c21-12-3-7-14(8-4-12)24-19(26)17(10-15-2-1-9-27-15)28-20(24)16(11-22)18(25)23-13-5-6-13/h1-4,7-10,13H,5-6H2,(H,23,25).
What are the key properties of 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide?
2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide has a molecular weight of 427.94 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-2-cyano-N-cyclopropylacetamide is sourced from PubChem (CID 4568886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).