4-aminothiophene-3-carbonitrile

C5H4N2S — CID 14618477

IUPAC4-aminothiophene-3-carbonitrile
SMILESN#Cc1cscc1N
InChIInChI=1S/C5H4N2S/c6-1-4-2-8-3-5(4)7/h2-3H,7H2
InChIKeyDQQYHRHJUXPLIV-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.20
Rot. Bonds

About 4-aminothiophene-3-carbonitrile

4-aminothiophene-3-carbonitrile (PubChem CID 14618477) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is 4-aminothiophene-3-carbonitrile.

Molecular Properties

Compound Name4-aminothiophene-3-carbonitrile
PubChem CID14618477
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Name4-aminothiophene-3-carbonitrile
SMILESN#Cc1cscc1N
InChIInChI=1S/C5H4N2S/c6-1-4-2-8-3-5(4)7/h2-3H,7H2
InChIKeyDQQYHRHJUXPLIV-UHFFFAOYSA-N
XLogP1.20
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluorothiophene-3-carbonitrile
CID 121229191
4,5-diaminothiophene-3-carbonitrile
CID 66749990
3-amino-1-benzothiophene-4,7-dicarbonitrile
CID 130817005
3,6-diamino-1-benzothiophene-4-carbonitrile
CID 131169584
3,4-diaminothiophene-2-carbonitrile
CID 66749991
4-(methoxymethyl)thiophene-3-carbonitrile
CID 82416850
4-[(dimethylamino)methyl]thiophene-3-carbonitrile
CID 119084949
4-(4-hydroxyphenyl)thiophene-3-carbonitrile
CID 59447572
3-amino-7-methyl-1-benzothiophene-6-carbonitrile
CID 130803323
4-amino-3-methyl-1-benzothiophene-7-carbonitrile
CID 131119383
7-amino-4-methyl-1-benzothiophene-3-carbonitrile
CID 130914465
4-amino-3-hydroxy-1-benzothiophene-7-carbonitrile
CID 130884910

Frequently Asked Questions

What is the IUPAC name of 4-aminothiophene-3-carbonitrile?
The IUPAC name of 4-aminothiophene-3-carbonitrile (CID 14618477) is 4-aminothiophene-3-carbonitrile.
What is the SMILES notation for 4-aminothiophene-3-carbonitrile?
The canonical SMILES for 4-aminothiophene-3-carbonitrile is N#Cc1cscc1N.
What is the InChIKey of 4-aminothiophene-3-carbonitrile?
The InChIKey is DQQYHRHJUXPLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c6-1-4-2-8-3-5(4)7/h2-3H,7H2.
What are the key properties of 4-aminothiophene-3-carbonitrile?
4-aminothiophene-3-carbonitrile has a molecular weight of 124.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminothiophene-3-carbonitrile is sourced from PubChem (CID 14618477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).