3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile

C12H12N2S2 — CID 79412369

IUPAC3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile
SMILESCCCc1c(-c2cccs2)sc(C#N)c1N
InChIInChI=1S/C12H12N2S2/c1-2-4-8-11(14)10(7-13)16-12(8)9-5-3-6-15-9/h3,5-6H,2,4,14H2,1H3
InChIKeyLKYYQZMKWIFBEE-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.88
Rot. Bonds3

About 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile

3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile (PubChem CID 79412369) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile
PubChem CID79412369
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile
SMILESCCCc1c(-c2cccs2)sc(C#N)c1N
InChIInChI=1S/C12H12N2S2/c1-2-4-8-11(14)10(7-13)16-12(8)9-5-3-6-15-9/h3,5-6H,2,4,14H2,1H3
InChIKeyLKYYQZMKWIFBEE-UHFFFAOYSA-N
XLogP3.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile (CID 79412369) is 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile is CCCc1c(-c2cccs2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile?
The InChIKey is LKYYQZMKWIFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-2-4-8-11(14)10(7-13)16-12(8)9-5-3-6-15-9/h3,5-6H,2,4,14H2,1H3.
What are the key properties of 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile?
3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile has a molecular weight of 248.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 79412369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).