[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

C19H18Cl2N3OS+ — CID 9287322

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
SMILESC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17Cl2N3OS/c1-24(11-17(25)23-18-15(20)8-5-9-16(18)21)10-14-12-26-19(22-14)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,23,25)/p+1
InChIKeyOJOCWLQXEODZIM-UHFFFAOYSA-O
MW407.35 g/mol
LogP3.77
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium

[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium (PubChem CID 9287322) has the molecular formula C19H18Cl2N3OS+ and a molecular weight of 407.35 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
PubChem CID9287322
Molecular FormulaC19H18Cl2N3OS+
Molecular Weight407.35 g/mol
Exact Mass406.05
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
SMILESC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17Cl2N3OS/c1-24(11-17(25)23-18-15(20)8-5-9-16(18)21)10-14-12-26-19(22-14)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,23,25)/p+1
InChIKeyOJOCWLQXEODZIM-UHFFFAOYSA-O
XLogP3.77
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium with MolForge

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Related Compounds

methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9339628
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
CID 9287075
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24660665
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250407
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223876
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222707
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913410
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium (CID 9287322) is [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium is C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
The InChIKey is OJOCWLQXEODZIM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-24(11-17(25)23-18-15(20)8-5-9-16(18)21)10-14-12-26-19(22-14)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,23,25)/p+1.
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium?
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium has a molecular weight of 407.35 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium is sourced from PubChem (CID 9287322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).