2-amino-5-(aminomethyl)thiophene-3-carbonitrile

C6H7N3S — CID 130018773

IUPAC2-amino-5-(aminomethyl)thiophene-3-carbonitrile
SMILESN#Cc1cc(CN)sc1N
InChIInChI=1S/C6H7N3S/c7-2-4-1-5(3-8)10-6(4)9/h1H,3,8-9H2
InChIKeyYDWINRFWSRIPQA-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.66
Rot. Bonds1

About 2-amino-5-(aminomethyl)thiophene-3-carbonitrile

2-amino-5-(aminomethyl)thiophene-3-carbonitrile (PubChem CID 130018773) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(aminomethyl)thiophene-3-carbonitrile
PubChem CID130018773
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name2-amino-5-(aminomethyl)thiophene-3-carbonitrile
SMILESN#Cc1cc(CN)sc1N
InChIInChI=1S/C6H7N3S/c7-2-4-1-5(3-8)10-6(4)9/h1H,3,8-9H2
InChIKeyYDWINRFWSRIPQA-UHFFFAOYSA-N
XLogP0.66
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]thiophene-3-carbonitrile
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2-amino-5-phenyl-6-sulfanylidenethiopyran-3-carbonitrile
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CID 171013590
4,5-diaminothiophene-3-carbonitrile
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5-amino-2-(diethylamino)furan-3-carbonitrile
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3-amino-5-ethylthiophene-2-carbonitrile
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5-(aminomethyl)thiophene-2-carbonitrile;5-(methylaminomethyl)thiophene-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(aminomethyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-(aminomethyl)thiophene-3-carbonitrile (CID 130018773) is 2-amino-5-(aminomethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(aminomethyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-(aminomethyl)thiophene-3-carbonitrile is N#Cc1cc(CN)sc1N.
What is the InChIKey of 2-amino-5-(aminomethyl)thiophene-3-carbonitrile?
The InChIKey is YDWINRFWSRIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c7-2-4-1-5(3-8)10-6(4)9/h1H,3,8-9H2.
What are the key properties of 2-amino-5-(aminomethyl)thiophene-3-carbonitrile?
2-amino-5-(aminomethyl)thiophene-3-carbonitrile has a molecular weight of 153.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(aminomethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 130018773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).