2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile

C16H11N5OS — CID 169339335

IUPAC2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2c(c1)N(C(=O)c1cccs1)CC2
InChIInChI=1S/C16H11N5OS/c17-9-13(10-18)20-19-12-4-3-11-5-6-21(14(11)8-12)16(22)15-2-1-7-23-15/h1-4,7-8,19H,5-6H2
InChIKeyXIFWQOWRUDDLLB-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.77
Rot. Bonds3

About 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile

2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile (PubChem CID 169339335) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
PubChem CID169339335
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2c(c1)N(C(=O)c1cccs1)CC2
InChIInChI=1S/C16H11N5OS/c17-9-13(10-18)20-19-12-4-3-11-5-6-21(14(11)8-12)16(22)15-2-1-7-23-15/h1-4,7-8,19H,5-6H2
InChIKeyXIFWQOWRUDDLLB-UHFFFAOYSA-N
XLogP2.77
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', '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-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871
[6-(propan-2-ylsulfamoylamino)-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 110623599
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169337813
(3S)-5-oxo-5-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]-3-thiophen-2-ylpentanoic acid
CID 97354725
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
1-(oxan-4-yl)-3-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110623601
[6-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]-thiophen-2-ylmethanone
CID 168583344
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417
1-(2-hydroxyethyl)-3-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]amino]pyrrole-2,5-dione
CID 168559702
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile (CID 169339335) is 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc2c(c1)N(C(=O)c1cccs1)CC2.
What is the InChIKey of 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile?
The InChIKey is XIFWQOWRUDDLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c17-9-13(10-18)20-19-12-4-3-11-5-6-21(14(11)8-12)16(22)15-2-1-7-23-15/h1-4,7-8,19H,5-6H2.
What are the key properties of 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile?
2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile has a molecular weight of 321.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).