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

C12H10N2OS — CID 16784318

IUPAC2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile
SMILESCOc1ccc(-c2csc(N)c2C#N)cc1
InChIInChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5,7H,14H2,1H3
InChIKeyQNIPKTMXJFZLMN-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.88
Rot. Bonds2

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

2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile (PubChem CID 16784318) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile
PubChem CID16784318
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile
SMILESCOc1ccc(-c2csc(N)c2C#N)cc1
InChIInChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5,7H,14H2,1H3
InChIKeyQNIPKTMXJFZLMN-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile (CID 16784318) is 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile is COc1ccc(-c2csc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile?
The InChIKey is QNIPKTMXJFZLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-15-9-4-2-8(3-5-9)11-7-16-12(14)10(11)6-13/h2-5,7H,14H2,1H3.
What are the key properties of 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)thiophene-3-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 2-amino-4-(4-methoxyphenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 16784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).