methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate

C22H26FN3O5S — CID 59511144

IUPACmethyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate
SMILESCOC(=O)CC(NC(=O)[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1)C(O)CF
InChIInChI=1S/C22H26FN3O5S/c1-31-19(28)11-15(18(27)12-23)24-20(29)17-9-5-6-10-26(17)22(30)16-13-32-21(25-16)14-7-3-2-4-8-14/h2-4,7-8,13,15,17-18,27H,5-6,9-12H2,1H3,(H,24,29)/t15?,17-,18?/m0/s1
InChIKeyJKHZGJZNBHAMHO-NXYGQSRBSA-N
MW463.53 g/mol
LogP2.18
Rot. Bonds8

About methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate

methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate (PubChem CID 59511144) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate
PubChem CID59511144
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC Namemethyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate
SMILESCOC(=O)CC(NC(=O)[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1)C(O)CF
InChIInChI=1S/C22H26FN3O5S/c1-31-19(28)11-15(18(27)12-23)24-20(29)17-9-5-6-10-26(17)22(30)16-13-32-21(25-16)14-7-3-2-4-8-14/h2-4,7-8,13,15,17-18,27H,5-6,9-12H2,1H3,(H,24,29)/t15?,17-,18?/m0/s1
InChIKeyJKHZGJZNBHAMHO-NXYGQSRBSA-N
XLogP2.18
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate with MolForge

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Related Compounds

tert-butyl 5-fluoro-4-oxo-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate
CID 87844420
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 71685067
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600493
(2R)-N-methyl-1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxamide
CID 32598903
(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
(2-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-3-yloxymethyl)piperidin-1-yl]methanone
CID 159745251
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
methyl (2R)-1-[2-[(1S)-1-acetamido-2-phenylethyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 171386948
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate (CID 59511144) is methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate is COC(=O)CC(NC(=O)[C@@H]1CCCCN1C(=O)c1csc(-c2ccccc2)n1)C(O)CF.
What is the InChIKey of methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate?
The InChIKey is JKHZGJZNBHAMHO-NXYGQSRBSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-31-19(28)11-15(18(27)12-23)24-20(29)17-9-5-6-10-26(17)22(30)16-13-32-21(25-16)14-7-3-2-4-8-14/h2-4,7-8,13,15,17-18,27H,5-6,9-12H2,1H3,(H,24,29)/t15?,17-,18?/m0/s1.
What are the key properties of methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate?
methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate has a molecular weight of 463.53 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-4-hydroxy-3-[[(2S)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 59511144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).