2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile

C12H9FN2S — CID 114830933

IUPAC2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile
SMILESCc1c(-c2cccc(F)c2)sc(N)c1C#N
InChIInChI=1S/C12H9FN2S/c1-7-10(6-14)12(15)16-11(7)8-3-2-4-9(13)5-8/h2-5H,15H2,1H3
InChIKeyBMPPQWQVPIDMNH-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.32
Rot. Bonds1

About 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile

2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile (PubChem CID 114830933) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile
PubChem CID114830933
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile
SMILESCc1c(-c2cccc(F)c2)sc(N)c1C#N
InChIInChI=1S/C12H9FN2S/c1-7-10(6-14)12(15)16-11(7)8-3-2-4-9(13)5-8/h2-5H,15H2,1H3
InChIKeyBMPPQWQVPIDMNH-UHFFFAOYSA-N
XLogP3.32
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 308248
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CID 672397
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CID 23273581
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CID 16784974
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CID 672398
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CID 15732735
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CID 3477107
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CID 4646120
CID 4646120

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile (CID 114830933) is 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile is Cc1c(-c2cccc(F)c2)sc(N)c1C#N.
What is the InChIKey of 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile?
The InChIKey is BMPPQWQVPIDMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c1-7-10(6-14)12(15)16-11(7)8-3-2-4-9(13)5-8/h2-5H,15H2,1H3.
What are the key properties of 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile?
2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile has a molecular weight of 232.28 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-fluorophenyl)-4-methylthiophene-3-carbonitrile is sourced from PubChem (CID 114830933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).