2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid

C23H23ClFN3O5S — CID 20815262

IUPAC2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid
SMILESCOc1cc(Cl)ccc1/N=c1\scc(-c2ccc(F)cc2)n1CCCNC(=O)COCC(=O)O
InChIInChI=1S/C23H23ClFN3O5S/c1-32-20-11-16(24)5-8-18(20)27-23-28(10-2-9-26-21(29)12-33-13-22(30)31)19(14-34-23)15-3-6-17(25)7-4-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,26,29)(H,30,31)/b27-23-
InChIKeyJCZLHOPADRBGOA-VYIQYICTSA-N
MW507.97 g/mol
LogP3.86
Rot. Bonds11

About 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid

2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid (PubChem CID 20815262) has the molecular formula C23H23ClFN3O5S and a molecular weight of 507.97 g/mol. Its IUPAC name is 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid
PubChem CID20815262
Molecular FormulaC23H23ClFN3O5S
Molecular Weight507.97 g/mol
Exact Mass507.10
IUPAC Name2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid
SMILESCOc1cc(Cl)ccc1/N=c1\scc(-c2ccc(F)cc2)n1CCCNC(=O)COCC(=O)O
InChIInChI=1S/C23H23ClFN3O5S/c1-32-20-11-16(24)5-8-18(20)27-23-28(10-2-9-26-21(29)12-33-13-22(30)31)19(14-34-23)15-3-6-17(25)7-4-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,26,29)(H,30,31)/b27-23-
InChIKeyJCZLHOPADRBGOA-VYIQYICTSA-N
XLogP3.86
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.97
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid 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-[3-[2-(4-chloro-2-methylphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]ethoxy]acetic acid
CID 20815256
3-[3-[2-(4-chloro-2-methylphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]propan-1-ol
CID 20815335
N-[3-[2-[(2,4-dimethoxyphenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propyl]-2-methoxyacetamide
CID 22350941
[2-[3-[2-[(4-chlorophenyl)methylimino]-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-3-yl]propylamino]-2-oxoethyl] acetate
CID 20815321
N-[3-[2-(4-fluorophenyl)imino-4-(4-morpholin-4-ylphenyl)-1,3-thiazol-3-yl]propyl]-2-phenylacetamide
CID 20815487
2-[2-(4-chlorophenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]ethanol
CID 3675136
ethane;methyl N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]carbamate
CID 142106126
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
N-[3-[3-[(2-methoxyacetyl)amino]propyl]-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-ylidene]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 142261346
actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide
CID 20815393
3-[4-(4-fluorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]propan-1-ol
CID 3603076
4-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 45135321

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid (CID 20815262) is 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid is COc1cc(Cl)ccc1/N=c1\scc(-c2ccc(F)cc2)n1CCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid?
The InChIKey is JCZLHOPADRBGOA-VYIQYICTSA-N. The full InChI is InChI=1S/C23H23ClFN3O5S/c1-32-20-11-16(24)5-8-18(20)27-23-28(10-2-9-26-21(29)12-33-13-22(30)31)19(14-34-23)15-3-6-17(25)7-4-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,26,29)(H,30,31)/b27-23-.
What are the key properties of 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid?
2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid has a molecular weight of 507.97 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(4-chloro-2-methoxyphenyl)imino-4-(4-fluorophenyl)-1,3-thiazol-3-yl]propylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 20815262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).