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

C15H16ClN3OS — CID 127049166

IUPAC(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3OS/c16-12-7-5-11(6-8-12)9-19-14(20)10-21-15(19)18-17-13-3-1-2-4-13/h5-8H,1-4,9-10H2/b18-15-
InChIKeyOUBVNEPAQFRGIH-SDXDJHTJSA-N
MW321.83 g/mol
LogP3.70
Rot. Bonds3

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

(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 127049166) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID127049166
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3OS/c16-12-7-5-11(6-8-12)9-19-14(20)10-21-15(19)18-17-13-3-1-2-4-13/h5-8H,1-4,9-10H2/b18-15-
InChIKeyOUBVNEPAQFRGIH-SDXDJHTJSA-N
XLogP3.70
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.70
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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Related Compounds

(2E)-3-benzyl-2-(cyclooctylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 118713906
3-[(4-chlorophenyl)methyl]-1,3-thiazinane-2,4-dione
CID 19838636
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6886864
(2Z)-3-[(4-chlorophenyl)methyl]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
CID 7667957
3-benzyl-2-phenylimino-1,3-thiazolidin-4-one;hydrochloride
CID 141064791
(2E)-3-benzyl-2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 10410067
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6887669
(2Z)-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 6880042
(2Z)-2-[(E)-1-cyclohexylethylidenehydrazinylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 127039840
(2E)-3-benzyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 6879010
(2E)-3-benzyl-2-[(Z)-heptan-3-ylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 118714711
1-[(4-chlorophenyl)methyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methylurea
CID 56566385

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 127049166) is (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is OUBVNEPAQFRGIH-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-12-7-5-11(6-8-12)9-19-14(20)10-21-15(19)18-17-13-3-1-2-4-13/h5-8H,1-4,9-10H2/b18-15-.
What are the key properties of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 321.83 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127049166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).