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

C11H9ClN2OS — CID 106689566

IUPAC3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile
SMILESCCc1c(-c2ccoc2Cl)sc(C#N)c1N
InChIInChI=1S/C11H9ClN2OS/c1-2-6-9(14)8(5-13)16-10(6)7-3-4-15-11(7)12/h3-4H,2,14H2,1H3
InChIKeyHDFDVGFCSAHHOZ-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.68
Rot. Bonds2

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

3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile (PubChem CID 106689566) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile
PubChem CID106689566
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile
SMILESCCc1c(-c2ccoc2Cl)sc(C#N)c1N
InChIInChI=1S/C11H9ClN2OS/c1-2-6-9(14)8(5-13)16-10(6)7-3-4-15-11(7)12/h3-4H,2,14H2,1H3
InChIKeyHDFDVGFCSAHHOZ-UHFFFAOYSA-N
XLogP3.68
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile
CID 80642157
3-amino-5-(3-chloro-2-fluorophenyl)-4-propylthiophene-2-carbonitrile
CID 81262905
3-amino-5-(4-chlorophenyl)-4-propylthiophene-2-carbonitrile
CID 79412475
3-amino-5-(2,4-dimethylphenyl)-4-propylthiophene-2-carbonitrile
CID 79413049
ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate
CID 106688205
3-amino-4-ethyl-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carbonitrile
CID 63465237
3-amino-4-propyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
CID 114552910
3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile
CID 107993002
methyl 3-amino-5-(2-chlorofuran-3-yl)-4-propan-2-ylthiophene-2-carboxylate
CID 106688212
3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile
CID 79412369
3-amino-5-(2-fluoro-4-nitrophenyl)-4-propylthiophene-2-carbonitrile
CID 79411782
3-amino-5-(2-chloro-6-nitrophenyl)-4-propylthiophene-2-carbonitrile
CID 79412232

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile (CID 106689566) is 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile is CCc1c(-c2ccoc2Cl)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile?
The InChIKey is HDFDVGFCSAHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-2-6-9(14)8(5-13)16-10(6)7-3-4-15-11(7)12/h3-4H,2,14H2,1H3.
What are the key properties of 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile?
3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile has a molecular weight of 252.73 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-chlorofuran-3-yl)-4-ethylthiophene-2-carbonitrile is sourced from PubChem (CID 106689566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).