5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide

C13H13Cl2N3S — CID 62494096

IUPAC5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13Cl2N3S/c1-18(7-9-3-5-12(15)19-9)11-4-2-8(14)6-10(11)13(16)17/h2-6H,7H2,1H3,(H3,16,17)
InChIKeyAEIWINWCMOPGCA-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.98
Rot. Bonds4

About 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide

5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide (PubChem CID 62494096) has the molecular formula C13H13Cl2N3S and a molecular weight of 314.24 g/mol. Its IUPAC name is 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
PubChem CID62494096
Molecular FormulaC13H13Cl2N3S
Molecular Weight314.24 g/mol
Exact Mass313.02
IUPAC Name5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H13Cl2N3S/c1-18(7-9-3-5-12(15)19-9)11-4-2-8(14)6-10(11)13(16)17/h2-6H,7H2,1H3,(H3,16,17)
InChIKeyAEIWINWCMOPGCA-UHFFFAOYSA-N
XLogP3.98
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-bromo-4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorobenzenecarboximidamide
CID 107536381
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929819
5-amino-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzamide
CID 61438183
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
CID 79850182
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
CID 61442075
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide (CID 62494096) is 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is AEIWINWCMOPGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3S/c1-18(7-9-3-5-12(15)19-9)11-4-2-8(14)6-10(11)13(16)17/h2-6H,7H2,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide?
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 314.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62494096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).