[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

C25H16ClFN2O4S — CID 23987147

IUPAC[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H16ClFN2O4S/c26-17-9-5-16(6-10-17)23(31)19-3-1-2-4-20(19)24(32)33-13-22(30)29-25-28-21(14-34-25)15-7-11-18(27)12-8-15/h1-12,14H,13H2,(H,28,29,30)
InChIKeyWVEAFYXMYCNUCG-UHFFFAOYSA-N
MW494.93 g/mol
LogP5.63
Rot. Bonds7

About [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 23987147) has the molecular formula C25H16ClFN2O4S and a molecular weight of 494.93 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID23987147
Molecular FormulaC25H16ClFN2O4S
Molecular Weight494.93 g/mol
Exact Mass494.05
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C25H16ClFN2O4S/c26-17-9-5-16(6-10-17)23(31)19-3-1-2-4-20(19)24(32)33-13-22(30)29-25-28-21(14-34-25)15-7-11-18(27)12-8-15/h1-12,14H,13H2,(H,28,29,30)
InChIKeyWVEAFYXMYCNUCG-UHFFFAOYSA-N
XLogP5.63
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate 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-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2095406
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8606412
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23791370
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 4692630
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-iodobenzoate
CID 2409334
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661242
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,4-dichloro-5-sulfamoylbenzoate
CID 25048656
[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1,3-benzoxazole-4-carboxylate
CID 23971636
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 23880378
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 23987147) is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is WVEAFYXMYCNUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN2O4S/c26-17-9-5-16(6-10-17)23(31)19-3-1-2-4-20(19)24(32)33-13-22(30)29-25-28-21(14-34-25)15-7-11-18(27)12-8-15/h1-12,14H,13H2,(H,28,29,30).
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 494.93 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 23987147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).