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

C18H13ClN4OS — CID 135778125

IUPAC(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1
InChIInChI=1S/C18H13ClN4OS/c19-12-7-5-11(6-8-12)17-14(13-3-1-2-4-15(13)21-17)9-20-23-18-22-16(24)10-25-18/h1-9,21H,10H2,(H,22,23,24)/b20-9+
InChIKeyVCBOTAMRPLWXSS-AWQFTUOYSA-N
MW368.85 g/mol
LogP4.04
Rot. Bonds3

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

(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135778125) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135778125
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1
InChIInChI=1S/C18H13ClN4OS/c19-12-7-5-11(6-8-12)17-14(13-3-1-2-4-15(13)21-17)9-20-23-18-22-16(24)10-25-18/h1-9,21H,10H2,(H,22,23,24)/b20-9+
InChIKeyVCBOTAMRPLWXSS-AWQFTUOYSA-N
XLogP4.04
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
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)-2-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135830619
(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135569133
2-[(2-chloro-6-fluoro-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574458
(2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135671314
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135886580
(2E)-5-[(4-methylphenyl)methyl]-2-[(E)-(2-phenyl-1H-indol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135711976
(2Z)-2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135528391
2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641769
(2Z)-5-ethyl-2-[(E)-[2-(4-nitrophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 155560979
2-[(4-chloro-2-methylsulfonylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574956

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135778125) is (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1.
What is the InChIKey of (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VCBOTAMRPLWXSS-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-12-7-5-11(6-8-12)17-14(13-3-1-2-4-15(13)21-17)9-20-23-18-22-16(24)10-25-18/h1-9,21H,10H2,(H,22,23,24)/b20-9+.
What are the key properties of (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 368.85 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135778125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).