3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile

C15H10N2OS — CID 55038271

IUPAC3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccco2)c(-c2ccccc2)c1N
InChIInChI=1S/C15H10N2OS/c16-9-12-14(17)13(10-5-2-1-3-6-10)15(19-12)11-7-4-8-18-11/h1-8H,17H2
InChIKeyPYURDGSMHINSBD-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.13
Rot. Bonds2

About 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile

3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile (PubChem CID 55038271) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
PubChem CID55038271
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Name3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccco2)c(-c2ccccc2)c1N
InChIInChI=1S/C15H10N2OS/c16-9-12-14(17)13(10-5-2-1-3-6-10)15(19-12)11-7-4-8-18-11/h1-8H,17H2
InChIKeyPYURDGSMHINSBD-UHFFFAOYSA-N
XLogP4.13
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile (CID 55038271) is 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile is N#Cc1sc(-c2ccco2)c(-c2ccccc2)c1N.
What is the InChIKey of 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile?
The InChIKey is PYURDGSMHINSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c16-9-12-14(17)13(10-5-2-1-3-6-10)15(19-12)11-7-4-8-18-11/h1-8H,17H2.
What are the key properties of 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile?
3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile is sourced from PubChem (CID 55038271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).