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

C6H7N3OS — CID 89283762

IUPAC2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile
SMILESN#Cc1cc(NCO)sc1N
InChIInChI=1S/C6H7N3OS/c7-2-4-1-5(9-3-10)11-6(4)8/h1,9-10H,3,8H2
InChIKeyCMGPAZMTGGCQQI-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.56
Rot. Bonds2

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

2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile (PubChem CID 89283762) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile
PubChem CID89283762
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile
SMILESN#Cc1cc(NCO)sc1N
InChIInChI=1S/C6H7N3OS/c7-2-4-1-5(9-3-10)11-6(4)8/h1,9-10H,3,8H2
InChIKeyCMGPAZMTGGCQQI-UHFFFAOYSA-N
XLogP0.56
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(aminomethyl)thiophene-3-carbonitrile
CID 130018773
2-amino-5-butylthiophene-3-carbonitrile
CID 43367138
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile
CID 69334530
2-amino-5-phenyl-6-sulfanylidenethiopyran-3-carbonitrile
CID 164684260
2-amino-5-(2-hydroxyethylamino)benzonitrile
CID 15827831
methyl 4-[(5-amino-4-cyanothiophen-2-yl)methyl]benzoate
CID 66622086
5-amino-2-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 60922494
3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
CID 103424676
2-chloro-5-(methylamino)thiophene-3-carbonitrile
CID 153398204
5-amino-2-(hydroxymethyl)benzonitrile
CID 91883278
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile (CID 89283762) is 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile is N#Cc1cc(NCO)sc1N.
What is the InChIKey of 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile?
The InChIKey is CMGPAZMTGGCQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-2-4-1-5(9-3-10)11-6(4)8/h1,9-10H,3,8H2.
What are the key properties of 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile?
2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile has a molecular weight of 169.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(hydroxymethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 89283762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).