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

C19H18ClFN3OS+ — CID 9250407

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-14-6-4-5-13(21)9-14)10-15-12-26-19(23-15)16-7-2-3-8-17(16)20/h2-9,12H,10-11H2,1H3,(H,22,25)/p+1
InChIKeyUKVDJFUXNOXCIB-UHFFFAOYSA-O
MW390.89 g/mol
LogP3.26
Rot. Bonds6

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

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9250407) has the molecular formula C19H18ClFN3OS+ and a molecular weight of 390.89 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9250407
Molecular FormulaC19H18ClFN3OS+
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-14-6-4-5-13(21)9-14)10-15-12-26-19(23-15)16-7-2-3-8-17(16)20/h2-9,12H,10-11H2,1H3,(H,22,25)/p+1
InChIKeyUKVDJFUXNOXCIB-UHFFFAOYSA-O
XLogP3.26
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-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-(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-(3-fluorophenyl)acetamide
CID 31013739
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222707
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 30795401
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9287322
[2-(3-fluoroanilino)-2-oxoethyl]-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl]-methylazanium
CID 8593025
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433890
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 31445049
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198496
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9250407) is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is UKVDJFUXNOXCIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-14-6-4-5-13(21)9-14)10-15-12-26-19(23-15)16-7-2-3-8-17(16)20/h2-9,12H,10-11H2,1H3,(H,22,25)/p+1.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 390.89 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9250407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).