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

C15H15N3O4S — CID 2412869

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H15N3O4S/c1-10(19)16-7-14(21)22-8-13(20)18-15-17-12(9-23-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyZDSHJOVCTYCHHH-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.43
Rot. Bonds6

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

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate (PubChem CID 2412869) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate
PubChem CID2412869
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate
SMILESCC(=O)NCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H15N3O4S/c1-10(19)16-7-14(21)22-8-13(20)18-15-17-12(9-23-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyZDSHJOVCTYCHHH-UHFFFAOYSA-N
XLogP1.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate (CID 2412869) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate is CC(=O)NCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate?
The InChIKey is ZDSHJOVCTYCHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10(19)16-7-14(21)22-8-13(20)18-15-17-12(9-23-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate has a molecular weight of 333.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-acetamidoacetate is sourced from PubChem (CID 2412869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).