5-bromothiophene-2-carboximidamide;hydrochloride

C5H6BrClN2S — CID 44607693

IUPAC5-bromothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Br)s1
InChIInChI=1S/C5H5BrN2S.ClH/c6-4-2-1-3(9-4)5(7)8;/h1-2H,(H3,7,8);1H
InChIKeyVUDUMRIVFLBMHU-UHFFFAOYSA-N
MW241.54 g/mol
LogP2.22
Rot. Bonds1

About 5-bromothiophene-2-carboximidamide;hydrochloride

5-bromothiophene-2-carboximidamide;hydrochloride (PubChem CID 44607693) has the molecular formula C5H6BrClN2S and a molecular weight of 241.54 g/mol. Its IUPAC name is 5-bromothiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-bromothiophene-2-carboximidamide;hydrochloride
PubChem CID44607693
Molecular FormulaC5H6BrClN2S
Molecular Weight241.54 g/mol
Exact Mass239.91
IUPAC Name5-bromothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(Br)s1
InChIInChI=1S/C5H5BrN2S.ClH/c6-4-2-1-3(9-4)5(7)8;/h1-2H,(H3,7,8);1H
InChIKeyVUDUMRIVFLBMHU-UHFFFAOYSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
5-fluorothiophene-2-carboximidamide
CID 55285122
N'-amino-5-bromothiophene-2-carboximidamide
CID 61351595
(5-carbamimidoylthiophen-2-yl)methanesulfinate
CID 174434712
7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007709
2-(5-carbamimidoylthiophen-2-yl)acetyl chloride;hydrochloride
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5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide
CID 156529024
1-(5-bromothiophen-2-yl)propane-1,3-diimine
CID 123383852
2-(5-carbamimidoylthiophen-2-yl)acetic acid
CID 21441146
benzo[f][1]benzothiole-2-carboximidamide;hydrochloride
CID 19007393
4-chloro-1-benzothiophene-2-carboximidamide;trihydrate;hydrochloride
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1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754

Frequently Asked Questions

What is the IUPAC name of 5-bromothiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 5-bromothiophene-2-carboximidamide;hydrochloride (CID 44607693) is 5-bromothiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-bromothiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-bromothiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(Br)s1.
What is the InChIKey of 5-bromothiophene-2-carboximidamide;hydrochloride?
The InChIKey is VUDUMRIVFLBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S.ClH/c6-4-2-1-3(9-4)5(7)8;/h1-2H,(H3,7,8);1H.
What are the key properties of 5-bromothiophene-2-carboximidamide;hydrochloride?
5-bromothiophene-2-carboximidamide;hydrochloride has a molecular weight of 241.54 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 44607693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).