5-nitrothiophene-2-carboximidamide;hydrochloride

C5H6ClN3O2S — CID 156732802

IUPAC5-nitrothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C5H5N3O2S.ClH/c6-5(7)3-1-2-4(11-3)8(9)10;/h1-2H,(H3,6,7);1H
InChIKeyBJKCRWVQNCYTNB-UHFFFAOYSA-N
MW207.64 g/mol
LogP1.36
Rot. Bonds2

About 5-nitrothiophene-2-carboximidamide;hydrochloride

5-nitrothiophene-2-carboximidamide;hydrochloride (PubChem CID 156732802) has the molecular formula C5H6ClN3O2S and a molecular weight of 207.64 g/mol. Its IUPAC name is 5-nitrothiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-nitrothiophene-2-carboximidamide;hydrochloride
PubChem CID156732802
Molecular FormulaC5H6ClN3O2S
Molecular Weight207.64 g/mol
Exact Mass206.99
IUPAC Name5-nitrothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C5H5N3O2S.ClH/c6-5(7)3-1-2-4(11-3)8(9)10;/h1-2H,(H3,6,7);1H
InChIKeyBJKCRWVQNCYTNB-UHFFFAOYSA-N
XLogP1.36
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-nitrothiophene-2-carboximidate
CID 2726435
2-[(E)-1,2-difluoro-2-(5-nitrothiophen-2-yl)ethenyl]-5-nitrothiophene
CID 10615473
5-bromothiophene-2-carboximidamide;hydrochloride
CID 44607693
N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
(5-nitrothiophen-2-yl)methyl carbamimidothioate
CID 97355945
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
5-nitrothiophen-2-amine;hydrochloride
CID 115008612
5-fluorothiophene-2-carboximidamide
CID 55285122
(5-carbamimidoylthiophen-2-yl)methanesulfinate
CID 174434712
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-2-carboxamide
CID 114033605
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499

Frequently Asked Questions

What is the IUPAC name of 5-nitrothiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 5-nitrothiophene-2-carboximidamide;hydrochloride (CID 156732802) is 5-nitrothiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-nitrothiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-nitrothiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitrothiophene-2-carboximidamide;hydrochloride?
The InChIKey is BJKCRWVQNCYTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2S.ClH/c6-5(7)3-1-2-4(11-3)8(9)10;/h1-2H,(H3,6,7);1H.
What are the key properties of 5-nitrothiophene-2-carboximidamide;hydrochloride?
5-nitrothiophene-2-carboximidamide;hydrochloride has a molecular weight of 207.64 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrothiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 156732802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).