2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

C13H14ClN3OS — CID 61442073

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccc(Cl)s1)c1ccccc1C(N)=NO
InChIInChI=1S/C13H14ClN3OS/c1-17(8-9-6-7-12(14)19-9)11-5-3-2-4-10(11)13(15)16-18/h2-7,18H,8H2,1H3,(H2,15,16)
InChIKeyPWHSMZKHFNRRRO-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.13
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 61442073) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID61442073
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccc(Cl)s1)c1ccccc1C(N)=NO
InChIInChI=1S/C13H14ClN3OS/c1-17(8-9-6-7-12(14)19-9)11-5-3-2-4-10(11)13(15)16-18/h2-7,18H,8H2,1H3,(H2,15,16)
InChIKeyPWHSMZKHFNRRRO-UHFFFAOYSA-N
XLogP3.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.13
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929819
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904227
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
2-bromo-4-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107278624
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286314
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzaldehyde
CID 61442333
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114346077
ethyl 2-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoate
CID 115545135

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 61442073) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is CN(Cc1ccc(Cl)s1)c1ccccc1C(N)=NO.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is PWHSMZKHFNRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-17(8-9-6-7-12(14)19-9)11-5-3-2-4-10(11)13(15)16-18/h2-7,18H,8H2,1H3,(H2,15,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 295.80 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61442073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).