3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile

C12H10N2OS — CID 82115667

IUPAC3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1ccc(-c2csc(C#N)c2N)cc1
InChIInChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)10-7-16-11(6-13)12(10)14/h2-5,7H,14H2,1H3
InChIKeyULGUWDFRXQVENX-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.88
Rot. Bonds2

About 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile

3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile (PubChem CID 82115667) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
PubChem CID82115667
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile
SMILESCOc1ccc(-c2csc(C#N)c2N)cc1
InChIInChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)10-7-16-11(6-13)12(10)14/h2-5,7H,14H2,1H3
InChIKeyULGUWDFRXQVENX-UHFFFAOYSA-N
XLogP2.88
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2,5-dimethoxyphenyl)thiophene-2-carbonitrile
CID 82121444
2-chloro-4-(4-methoxyphenyl)thiophen-3-amine
CID 114749329
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
2-amino-4-(4-methoxyphenyl)furan-3-carbonitrile
CID 69209744
3-amino-4-ethylsulfanyl-5-(4-methoxyphenyl)thiophene-2-carbonitrile
CID 16752530
3,4-diaminothiophene-2-carbonitrile
CID 66749991
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
[2-chloro-4-(4-methoxyphenyl)thiophen-3-yl]methanamine
CID 114748591
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299
4-methoxy(13C)benzonitrile
CID 175991125

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile (CID 82115667) is 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile is COc1ccc(-c2csc(C#N)c2N)cc1.
What is the InChIKey of 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile?
The InChIKey is ULGUWDFRXQVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)10-7-16-11(6-13)12(10)14/h2-5,7H,14H2,1H3.
What are the key properties of 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile?
3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile has a molecular weight of 230.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methoxyphenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 82115667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).