5-amino-3-methylthiophene-2,4-dicarbonitrile

C7H5N3S — CID 819555

IUPAC5-amino-3-methylthiophene-2,4-dicarbonitrile
SMILESCc1c(C#N)sc(N)c1C#N
InChIInChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3
InChIKeyGCSCENSWKWQJQG-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.38
Rot. Bonds

About 5-amino-3-methylthiophene-2,4-dicarbonitrile

5-amino-3-methylthiophene-2,4-dicarbonitrile (PubChem CID 819555) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 5-amino-3-methylthiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-amino-3-methylthiophene-2,4-dicarbonitrile
PubChem CID819555
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC Name5-amino-3-methylthiophene-2,4-dicarbonitrile
SMILESCc1c(C#N)sc(N)c1C#N
InChIInChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3
InChIKeyGCSCENSWKWQJQG-UHFFFAOYSA-N
XLogP1.38
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carbonitrile
CID 78382
2-amino-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carbonitrile
CID 601417
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 591744
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 591762
2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carbonitrile
CID 605976
2-Amino-4,5-dimethyl-thiophene-3-carbonitrile
CID 290236
2-amino-4H,5H,6H-cyclopenta(b)thiophene-3-carbonitrile
CID 258182
2-Amino-4-(1,1-dimethylethyl)-3-thiophenecarbonitrile
CID 596866
2-Amino-4-ethyl-5-methyl-3-thiophenecarbonitrile
CID 4611800
2-Amino-5-ethylthiophene-3-carbonitrile
CID 15680119
2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 12342316
2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile
CID 607253

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylthiophene-2,4-dicarbonitrile?
The IUPAC name of 5-amino-3-methylthiophene-2,4-dicarbonitrile (CID 819555) is 5-amino-3-methylthiophene-2,4-dicarbonitrile.
What is the SMILES notation for 5-amino-3-methylthiophene-2,4-dicarbonitrile?
The canonical SMILES for 5-amino-3-methylthiophene-2,4-dicarbonitrile is Cc1c(C#N)sc(N)c1C#N.
What is the InChIKey of 5-amino-3-methylthiophene-2,4-dicarbonitrile?
The InChIKey is GCSCENSWKWQJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c1-4-5(2-8)7(10)11-6(4)3-9/h10H2,1H3.
What are the key properties of 5-amino-3-methylthiophene-2,4-dicarbonitrile?
5-amino-3-methylthiophene-2,4-dicarbonitrile has a molecular weight of 163.20 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylthiophene-2,4-dicarbonitrile is sourced from PubChem (CID 819555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).