[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C21H17FN2O3S — CID 8824650

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H17FN2O3S/c22-15-8-6-14(7-9-15)20-24-17(12-28-20)21(26)27-18(13-4-2-1-3-5-13)19(25)23-16-10-11-16/h1-9,12,16,18H,10-11H2,(H,23,25)/t18-/m0/s1
InChIKeyHCTDNCNNSZUUHT-SFHVURJKSA-N
MW396.44 g/mol
LogP4.13
Rot. Bonds6

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 8824650) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID8824650
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESO=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H17FN2O3S/c22-15-8-6-14(7-9-15)20-24-17(12-28-20)21(26)27-18(13-4-2-1-3-5-13)19(25)23-16-10-11-16/h1-9,12,16,18H,10-11H2,(H,23,25)/t18-/m0/s1
InChIKeyHCTDNCNNSZUUHT-SFHVURJKSA-N
XLogP4.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46645446
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736678
[(1R)-2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] isoquinoline-4-carboxylate
CID 97352663
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 55393089
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 78835538
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824527
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 8824650) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is HCTDNCNNSZUUHT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c22-15-8-6-14(7-9-15)20-24-17(12-28-20)21(26)27-18(13-4-2-1-3-5-13)19(25)23-16-10-11-16/h1-9,12,16,18H,10-11H2,(H,23,25)/t18-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8824650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).