(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H15ClN4OS — CID 135569133

IUPAC(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1
InChIInChI=1S/C19H15ClN4OS/c20-15-7-5-13(6-8-15)10-24-11-14(16-3-1-2-4-17(16)24)9-21-23-19-22-18(25)12-26-19/h1-9,11H,10,12H2,(H,22,23,25)/b21-9+
InChIKeyXHLFOOYFOCKDJQ-ZVBGSRNCSA-N
MW382.88 g/mol
LogP3.90
Rot. Bonds4

About (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135569133) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135569133
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1
InChIInChI=1S/C19H15ClN4OS/c20-15-7-5-13(6-8-15)10-24-11-14(16-3-1-2-4-17(16)24)9-21-23-19-22-18(25)12-26-19/h1-9,11H,10,12H2,(H,22,23,25)/b21-9+
InChIKeyXHLFOOYFOCKDJQ-ZVBGSRNCSA-N
XLogP3.90
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641769
1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
CID 872445
(2E)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135830619
(5Z)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137071677
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135926222
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
(2E)-2-[[1-[(2,4-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135718431
2-[[2-(piperidin-1-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574340
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
(15S,19R)-17-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 124558969

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135569133) is (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1.
What is the InChIKey of (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XHLFOOYFOCKDJQ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c20-15-7-5-13(6-8-15)10-24-11-14(16-3-1-2-4-17(16)24)9-21-23-19-22-18(25)12-26-19/h1-9,11H,10,12H2,(H,22,23,25)/b21-9+.
What are the key properties of (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 382.88 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135569133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).