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

C19H16N4OS — CID 135671314

IUPAC(2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCn1c(-c2ccccc2)c(C=N/N=C2\NC(=O)CS2)c2ccccc21
InChIInChI=1S/C19H16N4OS/c1-23-16-10-6-5-9-14(16)15(18(23)13-7-3-2-4-8-13)11-20-22-19-21-17(24)12-25-19/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyKDNDMGIDDBGUJE-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.40
Rot. Bonds3

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

(2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135671314) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135671314
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name(2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCn1c(-c2ccccc2)c(C=N/N=C2\NC(=O)CS2)c2ccccc21
InChIInChI=1S/C19H16N4OS/c1-23-16-10-6-5-9-14(16)15(18(23)13-7-3-2-4-8-13)11-20-22-19-21-17(24)12-25-19/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyKDNDMGIDDBGUJE-UHFFFAOYSA-N
XLogP3.40
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.40
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

(2Z)-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887061
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
2-[(3-fluoro-4-phenylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574428
(2Z)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135958947
(Z)-1-(1-methyl-2-phenylindol-3-yl)-N-piperidin-1-ylmethanimine
CID 7612711
2-[(Z)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136831641
2-[(E)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172920535
(2Z)-2-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135569133
N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
CID 8892980
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135671314) is (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cn1c(-c2ccccc2)c(C=N/N=C2\NC(=O)CS2)c2ccccc21.
What is the InChIKey of (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KDNDMGIDDBGUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23-16-10-6-5-9-14(16)15(18(23)13-7-3-2-4-8-13)11-20-22-19-21-17(24)12-25-19/h2-11H,12H2,1H3,(H,21,22,24).
What are the key properties of (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135671314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).