2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile

C17H11N3S2 — CID 132516004

IUPAC2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
SMILESCn1cccc1-c1ccc(-c2ccc(C=C(C#N)C#N)s2)s1
InChIInChI=1S/C17H11N3S2/c1-20-8-2-3-14(20)15-6-7-17(22-15)16-5-4-13(21-16)9-12(10-18)11-19/h2-9H,1H3
InChIKeyGFEGATLCLYBXOS-UHFFFAOYSA-N
MW321.43 g/mol
LogP4.91
Rot. Bonds3

About 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile

2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile (PubChem CID 132516004) has the molecular formula C17H11N3S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
PubChem CID132516004
Molecular FormulaC17H11N3S2
Molecular Weight321.43 g/mol
Exact Mass321.04
IUPAC Name2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
SMILESCn1cccc1-c1ccc(-c2ccc(C=C(C#N)C#N)s2)s1
InChIInChI=1S/C17H11N3S2/c1-20-8-2-3-14(20)15-6-7-17(22-15)16-5-4-13(21-16)9-12(10-18)11-19/h2-9H,1H3
InChIKeyGFEGATLCLYBXOS-UHFFFAOYSA-N
XLogP4.91
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrole
CID 86175660
1-methyl-2-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]pyrrole
CID 4645094
2-[[5-(1-methylpyrrol-2-yl)furan-2-yl]methylidene]propanedinitrile
CID 129307548
2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 177465509
2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 170943915
2-[[5-[5-[(E)-2-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 102205328
2-[[5-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 137477240
2-[[5-[11-[5-(2,2-dicyanoethenyl)thiophen-2-yl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 167236664
2-[[5-[5-[4-[4-[5-[5-(2,2-dicyanoethenyl)thiophen-2-yl]thiophen-2-yl]-N-[4-[5-[5-(2,2-dicyanoethenyl)thiophen-2-yl]thiophen-2-yl]-2-methoxyphenyl]-2-methoxyanilino]-3-methoxyphenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 132934402
2-[[5-[3-[4-(dimethylamino)phenyl]-2-benzothiophen-1-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 11718538
2-[[5-[11-[5-(2,2-dicyanoethenyl)thiophen-2-yl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 165045494
2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile
CID 171592326

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile (CID 132516004) is 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile is Cn1cccc1-c1ccc(-c2ccc(C=C(C#N)C#N)s2)s1.
What is the InChIKey of 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The InChIKey is GFEGATLCLYBXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S2/c1-20-8-2-3-14(20)15-6-7-17(22-15)16-5-4-13(21-16)9-12(10-18)11-19/h2-9H,1H3.
What are the key properties of 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile has a molecular weight of 321.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 132516004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).