[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

C27H20N4O3S — CID 23943977

IUPAC[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESCC(OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)Nc1nccs1
InChIInChI=1S/C27H20N4O3S/c1-17(25(32)31-27-28-14-15-35-27)34-26(33)20-12-13-21-22(16-20)30-24(19-10-6-3-7-11-19)23(29-21)18-8-4-2-5-9-18/h2-17H,1H3,(H,28,31,32)
InChIKeyJPSWKZMUMPFBDB-UHFFFAOYSA-N
MW480.55 g/mol
LogP5.60
Rot. Bonds6

About [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate (PubChem CID 23943977) has the molecular formula C27H20N4O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
PubChem CID23943977
Molecular FormulaC27H20N4O3S
Molecular Weight480.55 g/mol
Exact Mass480.13
IUPAC Name[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESCC(OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)Nc1nccs1
InChIInChI=1S/C27H20N4O3S/c1-17(25(32)31-27-28-14-15-35-27)34-26(33)20-12-13-21-22(16-20)30-24(19-10-6-3-7-11-19)23(29-21)18-8-4-2-5-9-18/h2-17H,1H3,(H,28,31,32)
InChIKeyJPSWKZMUMPFBDB-UHFFFAOYSA-N
XLogP5.60
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23999781
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 3-aminobenzoate
CID 23744803
[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943878
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23887910
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744687
[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23888111
[1-(2-bromoanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23971913
[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23916050
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23915961
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23887917
[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 21232766

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The IUPAC name of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate (CID 23943977) is [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate.
What is the SMILES notation for [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The canonical SMILES for [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate is CC(OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)Nc1nccs1.
What is the InChIKey of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The InChIKey is JPSWKZMUMPFBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O3S/c1-17(25(32)31-27-28-14-15-35-27)34-26(33)20-12-13-21-22(16-20)30-24(19-10-6-3-7-11-19)23(29-21)18-8-4-2-5-9-18/h2-17H,1H3,(H,28,31,32).
What are the key properties of [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate has a molecular weight of 480.55 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate is sourced from PubChem (CID 23943977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).