2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile

C13H9N3S2 — CID 170943915

IUPAC2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2ccc(CN)s2)s1
InChIInChI=1S/C13H9N3S2/c14-6-9(7-15)5-10-1-3-12(17-10)13-4-2-11(8-16)18-13/h1-5H,8,16H2
InChIKeyUXJOYLTYRDUGCP-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.37
Rot. Bonds3

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

2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile (PubChem CID 170943915) has the molecular formula C13H9N3S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
PubChem CID170943915
Molecular FormulaC13H9N3S2
Molecular Weight271.37 g/mol
Exact Mass271.02
IUPAC Name2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2ccc(CN)s2)s1
InChIInChI=1S/C13H9N3S2/c14-6-9(7-15)5-10-1-3-12(17-10)13-4-2-11(8-16)18-13/h1-5H,8,16H2
InChIKeyUXJOYLTYRDUGCP-UHFFFAOYSA-N
XLogP3.37
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 177465509
2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 132516004
2-[[5-[5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 143186771
3-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-2-cyanoprop-2-enethioamide
CID 123556513
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]-3,3,10,10-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-[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-[5-[4-[[2,5-bis[5-(2,2-dicyanoethenyl)thiophen-2-yl]thieno[3,2-b]thiophen-6-yl]methyl]-5-(2,2-dicyanoethenyl)thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 135127163
2-[[5-[2-[5-(2,2-dicyanoethenyl)thiophen-2-yl]-6-ethyl-5,6-dihydro-4H-cyclohepta[b]thiophen-7-yl]furan-2-yl]methylidene]propanedinitrile
CID 163565078
2-[[5-[3-[4-(dimethylamino)phenyl]-2-benzothiophen-1-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 11718538

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile (CID 170943915) is 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(-c2ccc(CN)s2)s1.
What is the InChIKey of 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The InChIKey is UXJOYLTYRDUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3S2/c14-6-9(7-15)5-10-1-3-12(17-10)13-4-2-11(8-16)18-13/h1-5H,8,16H2.
What are the key properties of 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile has a molecular weight of 271.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(aminomethyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 170943915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).