2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride

C18H20Cl2N4O2S — CID 120865009

IUPAC2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2sc(NC(=O)c3ccccc3Cl)cc2C)n1.Cl
InChIInChI=1S/C18H19ClN4O2S.ClH/c1-10-8-15(22-17(24)12-6-4-5-7-13(12)19)26-16(10)18-21-14(23-25-18)9-11(2)20-3;/h4-8,11,20H,9H2,1-3H3,(H,22,24);1H
InChIKeyDXTGFMAGOWPZBW-UHFFFAOYSA-N
MW427.36 g/mol
LogP4.58
Rot. Bonds6

About 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride

2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride (PubChem CID 120865009) has the molecular formula C18H20Cl2N4O2S and a molecular weight of 427.36 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride
PubChem CID120865009
Molecular FormulaC18H20Cl2N4O2S
Molecular Weight427.36 g/mol
Exact Mass426.07
IUPAC Name2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2sc(NC(=O)c3ccccc3Cl)cc2C)n1.Cl
InChIInChI=1S/C18H19ClN4O2S.ClH/c1-10-8-15(22-17(24)12-6-4-5-7-13(12)19)26-16(10)18-21-14(23-25-18)9-11(2)20-3;/h4-8,11,20H,9H2,1-3H3,(H,22,24);1H
InChIKeyDXTGFMAGOWPZBW-UHFFFAOYSA-N
XLogP4.58
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone;hydrochloride
CID 120865027
(2,5-dimethylphenyl)-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 120865028
1-[5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867019
3-methyl-N-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]benzamide;hydrochloride
CID 120869013
5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
CID 55734516
1-tert-butyl-3-[4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]urea
CID 120868342
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866559
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
N-methyl-1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866066
1-[5-[2-(4-fluoro-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167754083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride (CID 120865009) is 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride is CNC(C)Cc1noc(-c2sc(NC(=O)c3ccccc3Cl)cc2C)n1.Cl.
What is the InChIKey of 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride?
The InChIKey is DXTGFMAGOWPZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S.ClH/c1-10-8-15(22-17(24)12-6-4-5-7-13(12)19)26-16(10)18-21-14(23-25-18)9-11(2)20-3;/h4-8,11,20H,9H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride?
2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride has a molecular weight of 427.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 120865009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).