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

C15H11N3OS2 — CID 81125897

IUPAC3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
SMILESCOc1ccsc1-c1sc(C#N)c(N)c1-c1cccnc1
InChIInChI=1S/C15H11N3OS2/c1-19-10-4-6-20-14(10)15-12(9-3-2-5-18-8-9)13(17)11(7-16)21-15/h2-6,8H,17H2,1H3
InChIKeyOCRTZMFDUQUVRA-UHFFFAOYSA-N
MW313.41 g/mol
LogP4.00
Rot. Bonds3

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

3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile (PubChem CID 81125897) has the molecular formula C15H11N3OS2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
PubChem CID81125897
Molecular FormulaC15H11N3OS2
Molecular Weight313.41 g/mol
Exact Mass313.03
IUPAC Name3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
SMILESCOc1ccsc1-c1sc(C#N)c(N)c1-c1cccnc1
InChIInChI=1S/C15H11N3OS2/c1-19-10-4-6-20-14(10)15-12(9-3-2-5-18-8-9)13(17)11(7-16)21-15/h2-6,8H,17H2,1H3
InChIKeyOCRTZMFDUQUVRA-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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Related Compounds

3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 81125896
3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 80523309
3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
CID 114552908
3-methoxy-2-(3-methoxythiophen-2-yl)thiophene
CID 10609306
3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
CID 55038271
3-amino-6-phenyl-4-pyridin-3-ylthieno[2,3-b]pyridine-2-carbonitrile
CID 10664042
3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
CID 80525488
3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile
CID 114822825
3-methoxy-2-phenylthiophene
CID 19905010
3-amino-5-(5-methylthiophen-2-yl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 62502736
methyl 3-amino-5-methyl-4-pyridin-3-ylthiophene-2-carboxylate
CID 83971401
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile (CID 81125897) is 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile is COc1ccsc1-c1sc(C#N)c(N)c1-c1cccnc1.
What is the InChIKey of 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
The InChIKey is OCRTZMFDUQUVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS2/c1-19-10-4-6-20-14(10)15-12(9-3-2-5-18-8-9)13(17)11(7-16)21-15/h2-6,8H,17H2,1H3.
What are the key properties of 3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile?
3-amino-5-(3-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-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile is sourced from PubChem (CID 81125897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).