(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide

C22H22FN3O2S — CID 96522230

IUPAC(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C22H22FN3O2S/c23-17-10-8-15(9-11-17)19-14-29-22(24-19)25-21(28)20(16-5-2-1-3-6-16)26-12-4-7-18(27)13-26/h1-3,5-6,8-11,14,18,20,27H,4,7,12-13H2,(H,24,25,28)/t18-,20+/m0/s1
InChIKeyVHQQIUINQPIGMZ-AZUAARDMSA-N
MW411.50 g/mol
LogP4.09
Rot. Bonds5

About (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide

(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide (PubChem CID 96522230) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide
PubChem CID96522230
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)N1CCC[C@H](O)C1
InChIInChI=1S/C22H22FN3O2S/c23-17-10-8-15(9-11-17)19-14-29-22(24-19)25-21(28)20(16-5-2-1-3-6-16)26-12-4-7-18(27)13-26/h1-3,5-6,8-11,14,18,20,27H,4,7,12-13H2,(H,24,25,28)/t18-,20+/m0/s1
InChIKeyVHQQIUINQPIGMZ-AZUAARDMSA-N
XLogP4.09
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-ethoxypiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 95786189
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55815883
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
benzyl 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582831
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
3-[1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100950
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817076
2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 87017765

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide (CID 96522230) is (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](c1ccccc1)N1CCC[C@H](O)C1.
What is the InChIKey of (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide?
The InChIKey is VHQQIUINQPIGMZ-AZUAARDMSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c23-17-10-8-15(9-11-17)19-14-29-22(24-19)25-21(28)20(16-5-2-1-3-6-16)26-12-4-7-18(27)13-26/h1-3,5-6,8-11,14,18,20,27H,4,7,12-13H2,(H,24,25,28)/t18-,20+/m0/s1.
What are the key properties of (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide?
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide has a molecular weight of 411.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-3-hydroxypiperidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 96522230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).