3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile

C15H11N3OS2 — CID 81125896

IUPAC3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
SMILESCOc1csc(-c2sc(C#N)c(N)c2-c2cccnc2)c1
InChIInChI=1S/C15H11N3OS2/c1-19-10-5-11(20-8-10)15-13(9-3-2-4-18-7-9)14(17)12(6-16)21-15/h2-5,7-8H,17H2,1H3
InChIKeyKONQFAJOIAYYMP-UHFFFAOYSA-N
MW313.41 g/mol
LogP4.00
Rot. Bonds3

About 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile

3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile (PubChem CID 81125896) has the molecular formula C15H11N3OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
PubChem CID81125896
Molecular FormulaC15H11N3OS2
Molecular Weight313.41 g/mol
Exact Mass313.03
IUPAC Name3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
SMILESCOc1csc(-c2sc(C#N)c(N)c2-c2cccnc2)c1
InChIInChI=1S/C15H11N3OS2/c1-19-10-5-11(20-8-10)15-13(9-3-2-4-18-7-9)14(17)12(6-16)21-15/h2-5,7-8H,17H2,1H3
InChIKeyKONQFAJOIAYYMP-UHFFFAOYSA-N
XLogP4.00
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile (CID 81125896) is 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile is COc1csc(-c2sc(C#N)c(N)c2-c2cccnc2)c1.
What is the InChIKey of 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The InChIKey is KONQFAJOIAYYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS2/c1-19-10-5-11(20-8-10)15-13(9-3-2-4-18-7-9)14(17)12(6-16)21-15/h2-5,7-8H,17H2,1H3.
What are the key properties of 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile has a molecular weight of 313.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile is sourced from PubChem (CID 81125896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).