3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile

C14H14N2OS2 — CID 16752530

IUPAC3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile
SMILESCCSc1c(-c2ccc(OC)cc2)sc(C#N)c1N
InChIInChI=1S/C14H14N2OS2/c1-3-18-14-12(16)11(8-15)19-13(14)9-4-6-10(17-2)7-5-9/h4-7H,3,16H2,1-2H3
InChIKeyLHGOOWQLNPFPGB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.99
Rot. Bonds4

About 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile

3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile (PubChem CID 16752530) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile
PubChem CID16752530
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile
SMILESCCSc1c(-c2ccc(OC)cc2)sc(C#N)c1N
InChIInChI=1S/C14H14N2OS2/c1-3-18-14-12(16)11(8-15)19-13(14)9-4-6-10(17-2)7-5-9/h4-7H,3,16H2,1-2H3
InChIKeyLHGOOWQLNPFPGB-UHFFFAOYSA-N
XLogP3.99
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
CID 63273246
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carbonitrile
CID 12733556
3-ethylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7896768
2-amino-6-(4-methylphenyl)thieno[3,4-d][1,3]oxazole-4-carbonitrile
CID 91715411
4-[3-bromo-5-(4-methoxyphenyl)thiophen-2-yl]benzonitrile
CID 89479794
2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1-benzothiophene
CID 154716120

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile (CID 16752530) is 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile is CCSc1c(-c2ccc(OC)cc2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile?
The InChIKey is LHGOOWQLNPFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-3-18-14-12(16)11(8-15)19-13(14)9-4-6-10(17-2)7-5-9/h4-7H,3,16H2,1-2H3.
What are the key properties of 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile?
3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile has a molecular weight of 290.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 16752530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).