(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile

C20H13ClN2O2S — CID 2465949

IUPAC(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESN#C/C=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C20H13ClN2O2S/c21-16-8-6-14(7-9-16)12-18-20(25)23(19(26-18)10-11-22)13-17(24)15-4-2-1-3-5-15/h1-10,12H,13H2/b18-12+,19-10-
InChIKeyPCVZWXHCYFRWHI-GWUZELHNSA-N
MW380.86 g/mol
LogP2.58
Rot. Bonds4

About (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile

(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile (PubChem CID 2465949) has the molecular formula C20H13ClN2O2S and a molecular weight of 380.86 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile
PubChem CID2465949
Molecular FormulaC20H13ClN2O2S
Molecular Weight380.86 g/mol
Exact Mass380.04
IUPAC Name(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile
SMILESN#C/C=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1CC(=O)c1ccccc1
InChIInChI=1S/C20H13ClN2O2S/c21-16-8-6-14(7-9-16)12-18-20(25)23(19(26-18)10-11-22)13-17(24)15-4-2-1-3-5-15/h1-10,12H,13H2/b18-12+,19-10-
InChIKeyPCVZWXHCYFRWHI-GWUZELHNSA-N
XLogP2.58
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile?
The IUPAC name of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile (CID 2465949) is (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile.
What is the SMILES notation for (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile?
The canonical SMILES for (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile is N#C/C=c1\s/c(=C/c2ccc(Cl)cc2)c(=O)n1CC(=O)c1ccccc1.
What is the InChIKey of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile?
The InChIKey is PCVZWXHCYFRWHI-GWUZELHNSA-N. The full InChI is InChI=1S/C20H13ClN2O2S/c21-16-8-6-14(7-9-16)12-18-20(25)23(19(26-18)10-11-22)13-17(24)15-4-2-1-3-5-15/h1-10,12H,13H2/b18-12+,19-10-.
What are the key properties of (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile?
(2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile has a molecular weight of 380.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-3-phenacyl-1,3-thiazolidin-2-ylidene]acetonitrile is sourced from PubChem (CID 2465949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).