3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile

C11H9ClN2S2 — CID 80642157

IUPAC3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile
SMILESCCc1c(-c2sccc2Cl)sc(C#N)c1N
InChIInChI=1S/C11H9ClN2S2/c1-2-6-9(14)8(5-13)16-10(6)11-7(12)3-4-15-11/h3-4H,2,14H2,1H3
InChIKeyRGMOUJLRILOMTK-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.15
Rot. Bonds2

About 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile

3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile (PubChem CID 80642157) has the molecular formula C11H9ClN2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile
PubChem CID80642157
Molecular FormulaC11H9ClN2S2
Molecular Weight268.79 g/mol
Exact Mass267.99
IUPAC Name3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile
SMILESCCc1c(-c2sccc2Cl)sc(C#N)c1N
InChIInChI=1S/C11H9ClN2S2/c1-2-6-9(14)8(5-13)16-10(6)11-7(12)3-4-15-11/h3-4H,2,14H2,1H3
InChIKeyRGMOUJLRILOMTK-UHFFFAOYSA-N
XLogP4.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.15
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-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile (CID 80642157) is 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile is CCc1c(-c2sccc2Cl)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile?
The InChIKey is RGMOUJLRILOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S2/c1-2-6-9(14)8(5-13)16-10(6)11-7(12)3-4-15-11/h3-4H,2,14H2,1H3.
What are the key properties of 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile?
3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile has a molecular weight of 268.79 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile is sourced from PubChem (CID 80642157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).