N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile

C10H9N3OS2 — CID 172953513

IUPACN'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile
SMILESN#Cc1cccs1.N/C(=N\O)c1cccs1
InChIInChI=1S/C5H6N2OS.C5H3NS/c6-5(7-8)4-2-1-3-9-4;6-4-5-2-1-3-7-5/h1-3,8H,(H2,6,7);1-3H
InChIKeyMZXMYIMLWZXZDU-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.46
Rot. Bonds1

About N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile

N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile (PubChem CID 172953513) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile.

Molecular Properties

Compound NameN'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile
PubChem CID172953513
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC NameN'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile
SMILESN#Cc1cccs1.N/C(=N\O)c1cccs1
InChIInChI=1S/C5H6N2OS.C5H3NS/c6-5(7-8)4-2-1-3-9-4;6-4-5-2-1-3-7-5/h1-3,8H,(H2,6,7);1-3H
InChIKeyMZXMYIMLWZXZDU-UHFFFAOYSA-N
XLogP2.46
TPSA82.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174388965
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(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile
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N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-but-2-ynoxythiophene-2-carboximidamide
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(Z)-3-amino-3-(2-bromophenyl)-2-thiophen-2-ylprop-2-enenitrile
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2-(1,2,2-trithiophen-2-ylethenyl)thiophene
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CID 22225903

Frequently Asked Questions

What is the IUPAC name of N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile?
The IUPAC name of N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile (CID 172953513) is N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile.
What is the SMILES notation for N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile?
The canonical SMILES for N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile is N#Cc1cccs1.N/C(=N\O)c1cccs1.
What is the InChIKey of N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile?
The InChIKey is MZXMYIMLWZXZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.C5H3NS/c6-5(7-8)4-2-1-3-9-4;6-4-5-2-1-3-7-5/h1-3,8H,(H2,6,7);1-3H.
What are the key properties of N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile?
N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile has a molecular weight of 251.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxythiophene-2-carboximidamide;thiophene-2-carbonitrile is sourced from PubChem (CID 172953513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).