3-amino-5-methylthiophene-2-carbonitrile

C6H6N2S — CID 15570319

IUPAC3-amino-5-methylthiophene-2-carbonitrile
SMILESCc1cc(N)c(C#N)s1
InChIInChI=1S/C6H6N2S/c1-4-2-5(8)6(3-7)9-4/h2H,8H2,1H3
InChIKeyQRYUNVRWSZIEDZ-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.51
Rot. Bonds

About 3-amino-5-methylthiophene-2-carbonitrile

3-amino-5-methylthiophene-2-carbonitrile (PubChem CID 15570319) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-amino-5-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-methylthiophene-2-carbonitrile
PubChem CID15570319
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name3-amino-5-methylthiophene-2-carbonitrile
SMILESCc1cc(N)c(C#N)s1
InChIInChI=1S/C6H6N2S/c1-4-2-5(8)6(3-7)9-4/h2H,8H2,1H3
InChIKeyQRYUNVRWSZIEDZ-UHFFFAOYSA-N
XLogP1.51
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-methylthiophene-2-carbonitrile (CID 15570319) is 3-amino-5-methylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-methylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-methylthiophene-2-carbonitrile is Cc1cc(N)c(C#N)s1.
What is the InChIKey of 3-amino-5-methylthiophene-2-carbonitrile?
The InChIKey is QRYUNVRWSZIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-4-2-5(8)6(3-7)9-4/h2H,8H2,1H3.
What are the key properties of 3-amino-5-methylthiophene-2-carbonitrile?
3-amino-5-methylthiophene-2-carbonitrile has a molecular weight of 138.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methylthiophene-2-carbonitrile is sourced from PubChem (CID 15570319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).