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

C19H18ClFN3OS+ — CID 9223876

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-16-4-2-3-15(21)9-16)10-17-12-26-19(23-17)13-5-7-14(20)8-6-13/h2-9,12H,10-11H2,1H3,(H,22,25)/p+1
InChIKeyYJVPZISJVLLPHS-UHFFFAOYSA-O
MW390.89 g/mol
LogP3.26
Rot. Bonds6

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

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9223876) has the molecular formula C19H18ClFN3OS+ and a molecular weight of 390.89 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9223876
Molecular FormulaC19H18ClFN3OS+
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-16-4-2-3-15(21)9-16)10-17-12-26-19(23-17)13-5-7-14(20)8-6-13/h2-9,12H,10-11H2,1H3,(H,22,25)/p+1
InChIKeyYJVPZISJVLLPHS-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

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Related Compounds

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250407
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223729
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[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-(3-fluoroanilino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433890
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250786
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250684
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250367
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9223876) is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is YJVPZISJVLLPHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17ClFN3OS/c1-24(11-18(25)22-16-4-2-3-15(21)9-16)10-17-12-26-19(23-17)13-5-7-14(20)8-6-13/h2-9,12H,10-11H2,1H3,(H,22,25)/p+1.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
[2-(4-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-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9223876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).