[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

C20H21ClN3O2S+ — CID 9222707

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-24(12-19(25)22-14-7-9-16(26-2)10-8-14)11-15-13-27-20(23-15)17-5-3-4-6-18(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)/p+1
InChIKeyQSWYZAFSOGGEBN-UHFFFAOYSA-O
MW402.93 g/mol
LogP3.13
Rot. Bonds7

About [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (PubChem CID 9222707) has the molecular formula C20H21ClN3O2S+ and a molecular weight of 402.93 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
PubChem CID9222707
Molecular FormulaC20H21ClN3O2S+
Molecular Weight402.93 g/mol
Exact Mass402.10
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
SMILESCOc1ccc(NC(=O)C[NH+](C)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-24(12-19(25)22-14-7-9-16(26-2)10-8-14)11-15-13-27-20(23-15)17-5-3-4-6-18(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)/p+1
InChIKeyQSWYZAFSOGGEBN-UHFFFAOYSA-O
XLogP3.13
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250407
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9287322
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198496
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
[2-(3-fluoroanilino)-2-oxoethyl]-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl]-methylazanium
CID 8593025
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223876
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium (CID 9222707) is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is COc1ccc(NC(=O)C[NH+](C)Cc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
The InChIKey is QSWYZAFSOGGEBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20ClN3O2S/c1-24(12-19(25)22-14-7-9-16(26-2)10-8-14)11-15-13-27-20(23-15)17-5-3-4-6-18(17)21/h3-10,13H,11-12H2,1-2H3,(H,22,25)/p+1.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium?
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium has a molecular weight of 402.93 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9222707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).