(2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

C13H14ClN3OS — CID 127052271

IUPAC(2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1\SCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-9(2)15-16-13-17(12(18)8-19-13)7-10-5-3-4-6-11(10)14/h3-6H,7-8H2,1-2H3/b16-13-
InChIKeyJKLWRQLXWWDLQQ-SSZFMOIBSA-N
MW295.80 g/mol
LogP3.17
Rot. Bonds3

About (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 127052271) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID127052271
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name(2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESCC(C)=N/N=C1\SCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-9(2)15-16-13-17(12(18)8-19-13)7-10-5-3-4-6-11(10)14/h3-6H,7-8H2,1-2H3/b16-13-
InChIKeyJKLWRQLXWWDLQQ-SSZFMOIBSA-N
XLogP3.17
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.17
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 127052271) is (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is CC(C)=N/N=C1\SCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is JKLWRQLXWWDLQQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-9(2)15-16-13-17(12(18)8-19-13)7-10-5-3-4-6-11(10)14/h3-6H,7-8H2,1-2H3/b16-13-.
What are the key properties of (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 295.80 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(2-chlorophenyl)methyl]-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127052271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).