(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one

C19H16N4OS — CID 5370271

IUPAC(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
SMILESO=C(C(/C=N\Nc1ccccc1)=N\Nc1ccccc1)c1cccs1
InChIInChI=1S/C19H16N4OS/c24-19(18-12-7-13-25-18)17(23-22-16-10-5-2-6-11-16)14-20-21-15-8-3-1-4-9-15/h1-14,21-22H/b20-14-,23-17-
InChIKeyVYIBLLCQBODPHX-ODWRTAAPSA-N
MW348.43 g/mol
LogP4.50
Rot. Bonds7

About (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one

(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one (PubChem CID 5370271) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
PubChem CID5370271
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
SMILESO=C(C(/C=N\Nc1ccccc1)=N\Nc1ccccc1)c1cccs1
InChIInChI=1S/C19H16N4OS/c24-19(18-12-7-13-25-18)17(23-22-16-10-5-2-6-11-16)14-20-21-15-8-3-1-4-9-15/h1-14,21-22H/b20-14-,23-17-
InChIKeyVYIBLLCQBODPHX-ODWRTAAPSA-N
XLogP4.50
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

2-[(4-chlorophenyl)hydrazinylidene]-3-hydrazinylidene-1-thiophen-2-ylpropan-1-one
CID 3729407
(2Z)-N-phenylthiophene-2-carbohydrazonoyl bromide
CID 177389050
(1E)-N-(4-methylphenyl)-2-oxo-2-thiophen-2-ylethanehydrazonoyl chloride
CID 10956844
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
(E)-3-(4-anilinophenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 9045427
1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
CID 135539246
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one (CID 5370271) is (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one is O=C(C(/C=N\Nc1ccccc1)=N\Nc1ccccc1)c1cccs1.
What is the InChIKey of (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one?
The InChIKey is VYIBLLCQBODPHX-ODWRTAAPSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(18-12-7-13-25-18)17(23-22-16-10-5-2-6-11-16)14-20-21-15-8-3-1-4-9-15/h1-14,21-22H/b20-14-,23-17-.
What are the key properties of (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one?
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one has a molecular weight of 348.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 5370271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).