(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one

C18H14N4OS — CID 137206725

IUPAC(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one
SMILESCn1c(-c2ccccc2)cs/c1=N\N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C18H14N4OS/c1-22-15(12-7-3-2-4-8-12)11-24-18(22)21-20-16-13-9-5-6-10-14(13)19-17(16)23/h2-11H,1H3,(H,19,20,23)/b21-18-
InChIKeyPGVJDLQFMWTPDD-UZYVYHOESA-N
MW334.40 g/mol
LogP3.01
Rot. Bonds2

About (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one

(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one (PubChem CID 137206725) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one
PubChem CID137206725
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one
SMILESCn1c(-c2ccccc2)cs/c1=N\N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C18H14N4OS/c1-22-15(12-7-3-2-4-8-12)11-24-18(22)21-20-16-13-9-5-6-10-14(13)19-17(16)23/h2-11H,1H3,(H,19,20,23)/b21-18-
InChIKeyPGVJDLQFMWTPDD-UZYVYHOESA-N
XLogP3.01
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2Z)-3-methyl-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazol-4-yl]benzonitrile
CID 137206670
(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 87733604
3-methyl-4-phenyl-1,3-thiazol-2-one
CID 12743054
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
(Z)-3-methyl-N-(3-methyl-2H-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-2-imine
CID 89269770
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
CID 135521199
3-methyl-N-[4-[4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]phenyl]sulfonylphenyl]-4-phenyl-1,3-thiazol-2-imine
CID 122373825
(3Z)-3-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1H-indol-2-one
CID 136828463
(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135503853
2-[(2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135484693
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one
CID 1498144

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one (CID 137206725) is (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one is Cn1c(-c2ccccc2)cs/c1=N\N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one?
The InChIKey is PGVJDLQFMWTPDD-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14N4OS/c1-22-15(12-7-3-2-4-8-12)11-24-18(22)21-20-16-13-9-5-6-10-14(13)19-17(16)23/h2-11H,1H3,(H,19,20,23)/b21-18-.
What are the key properties of (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one?
(3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one has a molecular weight of 334.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)hydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 137206725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).