3-amino-5-methoxy-1-benzothiophene-2-carbonitrile

C10H8N2OS — CID 83819711

IUPAC3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1ccc2sc(C#N)c(N)c2c1
InChIInChI=1S/C10H8N2OS/c1-13-6-2-3-8-7(4-6)10(12)9(5-11)14-8/h2-4H,12H2,1H3
InChIKeyAYSNPLPYMJVCKX-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.36
Rot. Bonds1

About 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile

3-amino-5-methoxy-1-benzothiophene-2-carbonitrile (PubChem CID 83819711) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
PubChem CID83819711
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
SMILESCOc1ccc2sc(C#N)c(N)c2c1
InChIInChI=1S/C10H8N2OS/c1-13-6-2-3-8-7(4-6)10(12)9(5-11)14-8/h2-4H,12H2,1H3
InChIKeyAYSNPLPYMJVCKX-UHFFFAOYSA-N
XLogP2.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-benzothiophene-2-carbonitrile
CID 821951
3-amino-6-methyl-1-benzothiophene-2-carbonitrile
CID 130969369
2-butoxy-5-methoxy-1-benzothiophene-3-carbonitrile
CID 102585380
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
CID 130855217
3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
CID 82121444
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
3,5-dimethoxy-1-benzothiophene-2-carbothioamide
CID 139771246
3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 82115667
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
5-methoxy-1,2-benzothiazol-3-amine
CID 10035208

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile (CID 83819711) is 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile is COc1ccc2sc(C#N)c(N)c2c1.
What is the InChIKey of 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile?
The InChIKey is AYSNPLPYMJVCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-13-6-2-3-8-7(4-6)10(12)9(5-11)14-8/h2-4H,12H2,1H3.
What are the key properties of 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile?
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 83819711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).