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

C17H14N2S2 — CID 79975065

IUPAC3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile
SMILESCCc1ccsc1-c1sc(C#N)c(N)c1-c1ccccc1
InChIInChI=1S/C17H14N2S2/c1-2-11-8-9-20-16(11)17-14(12-6-4-3-5-7-12)15(19)13(10-18)21-17/h3-9H,2,19H2,1H3
InChIKeyRXCDZUKHMCREHI-UHFFFAOYSA-N
MW310.45 g/mol
LogP5.16
Rot. Bonds3

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

3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile (PubChem CID 79975065) has the molecular formula C17H14N2S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile
PubChem CID79975065
Molecular FormulaC17H14N2S2
Molecular Weight310.45 g/mol
Exact Mass310.06
IUPAC Name3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile
SMILESCCc1ccsc1-c1sc(C#N)c(N)c1-c1ccccc1
InChIInChI=1S/C17H14N2S2/c1-2-11-8-9-20-16(11)17-14(12-6-4-3-5-7-12)15(19)13(10-18)21-17/h3-9H,2,19H2,1H3
InChIKeyRXCDZUKHMCREHI-UHFFFAOYSA-N
XLogP5.16
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile (CID 79975065) is 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile is CCc1ccsc1-c1sc(C#N)c(N)c1-c1ccccc1.
What is the InChIKey of 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile?
The InChIKey is RXCDZUKHMCREHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S2/c1-2-11-8-9-20-16(11)17-14(12-6-4-3-5-7-12)15(19)13(10-18)21-17/h3-9H,2,19H2,1H3.
What are the key properties of 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile?
3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile has a molecular weight of 310.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile is sourced from PubChem (CID 79975065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).