2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate

C20H17N3O4S — CID 19630523

IUPAC2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate
SMILESO=C(NCCOC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H17N3O4S/c24-17(21-11-12-27-19(26)15-9-5-2-6-10-15)18(25)23-20-22-16(13-28-20)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,24)(H,22,23,25)
InChIKeyQRMIKUHJQARBHD-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.72
Rot. Bonds6

About 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate

2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate (PubChem CID 19630523) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate.

Molecular Properties

Compound Name2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate
PubChem CID19630523
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate
SMILESO=C(NCCOC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H17N3O4S/c24-17(21-11-12-27-19(26)15-9-5-2-6-10-15)18(25)23-20-22-16(13-28-20)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,24)(H,22,23,25)
InChIKeyQRMIKUHJQARBHD-UHFFFAOYSA-N
XLogP2.72
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
CID 175099310
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
(E)-3-(3,4-dimethoxyphenyl)-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108769745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate?
The IUPAC name of 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate (CID 19630523) is 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate.
What is the SMILES notation for 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate?
The canonical SMILES for 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate is O=C(NCCOC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate?
The InChIKey is QRMIKUHJQARBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c24-17(21-11-12-27-19(26)15-9-5-2-6-10-15)18(25)23-20-22-16(13-28-20)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,24)(H,22,23,25).
What are the key properties of 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate?
2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate has a molecular weight of 395.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetyl]amino]ethyl benzoate is sourced from PubChem (CID 19630523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).