[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate

C23H23N3O4S — CID 55379937

IUPAC[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate
SMILESCC(CC(=O)OC(C)C(=O)Nc1nc(-c2ccccc2)cs1)NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4S/c1-15(24-22(29)18-11-7-4-8-12-18)13-20(27)30-16(2)21(28)26-23-25-19(14-31-23)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyOBRJCTNZGIYCQA-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.89
Rot. Bonds8

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

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate (PubChem CID 55379937) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate.

Molecular Properties

Compound Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate
PubChem CID55379937
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate
SMILESCC(CC(=O)OC(C)C(=O)Nc1nc(-c2ccccc2)cs1)NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4S/c1-15(24-22(29)18-11-7-4-8-12-18)13-20(27)30-16(2)21(28)26-23-25-19(14-31-23)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3,(H,24,29)(H,25,26,28)
InChIKeyOBRJCTNZGIYCQA-UHFFFAOYSA-N
XLogP3.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate with MolForge

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 4272348
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate
CID 46819587
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 4689295
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 7891821
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 16532959
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-propan-2-ylbenzoate
CID 16521251
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-methoxybenzoate
CID 2510397
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-acetamidobenzoate
CID 8821041
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775704
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate?
The IUPAC name of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate (CID 55379937) is [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate.
What is the SMILES notation for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate?
The canonical SMILES for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate is CC(CC(=O)OC(C)C(=O)Nc1nc(-c2ccccc2)cs1)NC(=O)c1ccccc1.
What is the InChIKey of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate?
The InChIKey is OBRJCTNZGIYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15(24-22(29)18-11-7-4-8-12-18)13-20(27)30-16(2)21(28)26-23-25-19(14-31-23)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3,(H,24,29)(H,25,26,28).
What are the key properties of [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate?
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate has a molecular weight of 437.52 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate is sourced from PubChem (CID 55379937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).