[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate

C25H20N2O3S — CID 23989459

IUPAC[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C25H20N2O3S/c1-17-7-5-6-10-21(17)24(29)30-15-23(28)27-25-26-22(16-31-25)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,26,27,28)
InChIKeyAFYXGQALFJQDLA-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.58
Rot. Bonds6

About [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate

[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate (PubChem CID 23989459) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
PubChem CID23989459
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC Name[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C25H20N2O3S/c1-17-7-5-6-10-21(17)24(29)30-15-23(28)27-25-26-22(16-31-25)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,26,27,28)
InChIKeyAFYXGQALFJQDLA-UHFFFAOYSA-N
XLogP5.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2404132
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504627
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 23904875
[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 23969698
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
2-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-N-propylbenzamide
CID 1058209
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23940632
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284492

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate?
The IUPAC name of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate (CID 23989459) is [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate?
The canonical SMILES for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate?
The InChIKey is AFYXGQALFJQDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c1-17-7-5-6-10-21(17)24(29)30-15-23(28)27-25-26-22(16-31-25)20-13-11-19(12-14-20)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,26,27,28).
What are the key properties of [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate?
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate has a molecular weight of 428.51 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate is sourced from PubChem (CID 23989459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).