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

C20H17FN2O4S — CID 8509239

IUPAC[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c(F)c1
InChIInChI=1S/C20H17FN2O4S/c1-12(27-19(25)15-9-8-14(26-2)10-16(15)21)18(24)23-20-22-17(11-28-20)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24)/t12-/m0/s1
InChIKeyRGKOMKNLHGAKGH-LBPRGKRZSA-N
MW400.43 g/mol
LogP4.14
Rot. Bonds6

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

[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate (PubChem CID 8509239) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate
PubChem CID8509239
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c(F)c1
InChIInChI=1S/C20H17FN2O4S/c1-12(27-19(25)15-9-8-14(26-2)10-16(15)21)18(24)23-20-22-17(11-28-20)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24)/t12-/m0/s1
InChIKeyRGKOMKNLHGAKGH-LBPRGKRZSA-N
XLogP4.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-methoxybenzoate
CID 2510397
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 3883762
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775704
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2,3-dimethoxybenzoate
CID 2503288
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 42966355
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 176908756
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-nitrobenzoate
CID 16796710
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-chloro-2-nitrobenzoate
CID 4779939
[1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23972042
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7228998
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-propan-2-ylbenzoate
CID 16521251
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-acetamidobenzoate
CID 16520816

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate?
The IUPAC name of [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate (CID 8509239) is [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate?
The canonical SMILES for [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c(F)c1.
What is the InChIKey of [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate?
The InChIKey is RGKOMKNLHGAKGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-12(27-19(25)15-9-8-14(26-2)10-16(15)21)18(24)23-20-22-17(11-28-20)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24)/t12-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate?
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate has a molecular weight of 400.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8509239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).