methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate

C15H15FN2O3S — CID 99837257

IUPACmethyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](CNC(=O)c1csnc1C)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S/c1-9-13(8-22-18-9)14(19)17-7-12(15(20)21-2)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyPYLROOLVXLDJMR-LBPRGKRZSA-N
MW322.36 g/mol
LogP2.28
Rot. Bonds5

About methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate

methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate (PubChem CID 99837257) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate
PubChem CID99837257
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Namemethyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](CNC(=O)c1csnc1C)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S/c1-9-13(8-22-18-9)14(19)17-7-12(15(20)21-2)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyPYLROOLVXLDJMR-LBPRGKRZSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223
N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 97255935
methyl (2S)-2-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoate
CID 99837242
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl (2R)-2-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridine-6-carbonylamino)propanoate
CID 99837247
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930
N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
CID 124504826
methyl 2-(4-fluorophenyl)-5-oxopentanoate
CID 87327496

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate (CID 99837257) is methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate is COC(=O)[C@@H](CNC(=O)c1csnc1C)c1ccc(F)cc1.
What is the InChIKey of methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate?
The InChIKey is PYLROOLVXLDJMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-9-13(8-22-18-9)14(19)17-7-12(15(20)21-2)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate?
methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate has a molecular weight of 322.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluorophenyl)-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 99837257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).