(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C12H12ClN3OS — CID 135476801

IUPAC(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1\NC(=O)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C12H12ClN3OS/c1-7(2)15-16-12-14-11(17)10(18-12)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3,(H,14,16,17)
InChIKeyKRIHEFMSOJMNSZ-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.00
Rot. Bonds2

About (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 135476801) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID135476801
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1\NC(=O)C(c2ccc(Cl)cc2)S1
InChIInChI=1S/C12H12ClN3OS/c1-7(2)15-16-12-14-11(17)10(18-12)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3,(H,14,16,17)
InChIKeyKRIHEFMSOJMNSZ-UHFFFAOYSA-N
XLogP3.00
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135524351
(2Z)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135509611
(2Z,5S)-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 137172460
(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135941737
5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione
CID 87796180
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620
5-benzyl-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184948
(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135748348
2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 137206228
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135617322
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
N-[(4-methoxyphenyl)methyl]-2-[(2E)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135922742

Frequently Asked Questions

What is the IUPAC name of (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 135476801) is (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=N/N=C1\NC(=O)C(c2ccc(Cl)cc2)S1.
What is the InChIKey of (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is KRIHEFMSOJMNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(2)15-16-12-14-11(17)10(18-12)8-3-5-9(13)6-4-8/h3-6,10H,1-2H3,(H,14,16,17).
What are the key properties of (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 281.77 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-(4-chlorophenyl)-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135476801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).