2-amino-4-methoxythiophene-3-carbonitrile

C6H6N2OS — CID 22902760

IUPAC2-amino-4-methoxythiophene-3-carbonitrile
SMILESCOc1csc(N)c1C#N
InChIInChI=1S/C6H6N2OS/c1-9-5-3-10-6(8)4(5)2-7/h3H,8H2,1H3
InChIKeyOQXIEAJFBRDLDJ-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.21
Rot. Bonds1

About 2-amino-4-methoxythiophene-3-carbonitrile

2-amino-4-methoxythiophene-3-carbonitrile (PubChem CID 22902760) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-amino-4-methoxythiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methoxythiophene-3-carbonitrile
PubChem CID22902760
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-amino-4-methoxythiophene-3-carbonitrile
SMILESCOc1csc(N)c1C#N
InChIInChI=1S/C6H6N2OS/c1-9-5-3-10-6(8)4(5)2-7/h3H,8H2,1H3
InChIKeyOQXIEAJFBRDLDJ-UHFFFAOYSA-N
XLogP1.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-butoxythiophene-3-carbonitrile
CID 102447325
3-methoxy-5-methyl-1-benzothiophene-4-carbonitrile
CID 131197251
3,4-dimethoxythiophen-2-amine
CID 88979037
2-amino-4-[2-(2-bromo-3,4,5-trimethoxyphenyl)ethyl]thiophene-3-carbonitrile
CID 10644477
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
CID 71565212
2-amino-5,6-dimethoxy-1H-indole-3-carbonitrile
CID 156876776
4-amino-3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile
CID 605092
2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile
CID 136664636
2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
CID 71565192
2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
CID 166518306
4-chloro-2,6-dimethoxybenzonitrile
CID 71485579

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxythiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-methoxythiophene-3-carbonitrile (CID 22902760) is 2-amino-4-methoxythiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-methoxythiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-methoxythiophene-3-carbonitrile is COc1csc(N)c1C#N.
What is the InChIKey of 2-amino-4-methoxythiophene-3-carbonitrile?
The InChIKey is OQXIEAJFBRDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-9-5-3-10-6(8)4(5)2-7/h3H,8H2,1H3.
What are the key properties of 2-amino-4-methoxythiophene-3-carbonitrile?
2-amino-4-methoxythiophene-3-carbonitrile has a molecular weight of 154.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxythiophene-3-carbonitrile is sourced from PubChem (CID 22902760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).