(2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone

C11H10ClNOS — CID 5376906

IUPAC(2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone
SMILESO=C(/C=C1/NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOS/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-4,7,13H,5-6H2/b11-7-
InChIKeyAOYMCAPSEKJJEW-XFFZJAGNSA-N
MW239.73 g/mol
LogP2.70
Rot. Bonds2

About (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone

(2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone (PubChem CID 5376906) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone
PubChem CID5376906
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name(2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone
SMILESO=C(/C=C1/NCCS1)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNOS/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-4,7,13H,5-6H2/b11-7-
InChIKeyAOYMCAPSEKJJEW-XFFZJAGNSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6221738
(Z)-2-(4-chlorobenzoyl)-3-(cyclopropylmethylamino)-3-methylsulfanylprop-2-enenitrile
CID 2819460
2-[2-(4-Chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 870635
(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2120340
Ethanone, 1-(4-chlorophenyl)-2-(2-imidazolin-2-yl)thio-
CID 586957
2-(2-(3-Chlorophenyl)-2-oxoethylidene)-1,3-thiazolidin-4-one
CID 4868407
(2Z)-1-phenyl-2-(1,3-thiazolidin-2-ylidene)ethanone
CID 12182297
Ethanone, 1-(4-chlorophenyl)-2-(2-imidazolidinylidene)-
CID 359957
(2E)-1-(4-chlorophenyl)-2-(1-methylimidazolidin-2-ylidene)ethanone
CID 10900643
(E)-1-(2-chloro-6-fluorophenyl)-3-(ethylamino)-3-methylsulfanylprop-2-en-1-one
CID 21806601
[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile
CID 24203420
(2Z)-1-(4-methylphenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone
CID 12295301

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone?
The IUPAC name of (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone (CID 5376906) is (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone.
What is the SMILES notation for (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone?
The canonical SMILES for (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone is O=C(/C=C1/NCCS1)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone?
The InChIKey is AOYMCAPSEKJJEW-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-9-3-1-8(2-4-9)10(14)7-11-13-5-6-15-11/h1-4,7,13H,5-6H2/b11-7-.
What are the key properties of (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone?
(2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone has a molecular weight of 239.73 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(4-chlorophenyl)-2-(1,3-thiazolidin-2-ylidene)ethanone is sourced from PubChem (CID 5376906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).