3-amino-6-methyl-1-benzothiophene-2-carbonitrile

C10H8N2S — CID 130969369

IUPAC3-amino-6-methyl-1-benzothiophene-2-carbonitrile
SMILESCc1ccc2c(N)c(C#N)sc2c1
InChIInChI=1S/C10H8N2S/c1-6-2-3-7-8(4-6)13-9(5-11)10(7)12/h2-4H,12H2,1H3
InChIKeyJGSUFUYGMIYDPW-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.66
Rot. Bonds

About 3-amino-6-methyl-1-benzothiophene-2-carbonitrile

3-amino-6-methyl-1-benzothiophene-2-carbonitrile (PubChem CID 130969369) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-amino-6-methyl-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-methyl-1-benzothiophene-2-carbonitrile
PubChem CID130969369
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name3-amino-6-methyl-1-benzothiophene-2-carbonitrile
SMILESCc1ccc2c(N)c(C#N)sc2c1
InChIInChI=1S/C10H8N2S/c1-6-2-3-7-8(4-6)13-9(5-11)10(7)12/h2-4H,12H2,1H3
InChIKeyJGSUFUYGMIYDPW-UHFFFAOYSA-N
XLogP2.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-benzothiophene-2-carbonitrile
CID 821951
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
6-amino-3-ethyl-1-benzothiophene-2-carbonitrile
CID 130914383
6-amino-3-hydroxy-1-benzothiophene-2-carbonitrile
CID 131138174
2-amino-6-methyl-1-benzothiophene-4-carbonitrile
CID 131091561
6-amino-3-(bromomethyl)-1-benzothiophene-2-carbonitrile
CID 130941960
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
3-amino-4-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carbonitrile
CID 82121012
3-(4-methylphenyl)-1-benzothiophene-2-carbonitrile
CID 139640902
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
7-methyl-9-oxothioxanthene-3-carbonitrile
CID 10658399

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-benzothiophene-2-carbonitrile?
The IUPAC name of 3-amino-6-methyl-1-benzothiophene-2-carbonitrile (CID 130969369) is 3-amino-6-methyl-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-6-methyl-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 3-amino-6-methyl-1-benzothiophene-2-carbonitrile is Cc1ccc2c(N)c(C#N)sc2c1.
What is the InChIKey of 3-amino-6-methyl-1-benzothiophene-2-carbonitrile?
The InChIKey is JGSUFUYGMIYDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-6-2-3-7-8(4-6)13-9(5-11)10(7)12/h2-4H,12H2,1H3.
What are the key properties of 3-amino-6-methyl-1-benzothiophene-2-carbonitrile?
3-amino-6-methyl-1-benzothiophene-2-carbonitrile has a molecular weight of 188.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 130969369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).