(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid

C19H17N3O3S — CID 166790367

IUPAC(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](Oc2nc(-c3cccnc3)cs2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H17N3O3S/c23-19(24)22-10-15(13-5-2-1-3-6-13)17(11-22)25-18-21-16(12-26-18)14-7-4-8-20-9-14/h1-9,12,15,17H,10-11H2,(H,23,24)/t15-,17+/m1/s1
InChIKeyONUUBRZSZZZGPE-WBVHZDCISA-N
MW367.43 g/mol
LogP3.73
Rot. Bonds4

About (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid

(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid (PubChem CID 166790367) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid
PubChem CID166790367
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1C[C@H](Oc2nc(-c3cccnc3)cs2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H17N3O3S/c23-19(24)22-10-15(13-5-2-1-3-6-13)17(11-22)25-18-21-16(12-26-18)14-7-4-8-20-9-14/h1-9,12,15,17H,10-11H2,(H,23,24)/t15-,17+/m1/s1
InChIKeyONUUBRZSZZZGPE-WBVHZDCISA-N
XLogP3.73
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-[methyl-(3-pyridin-3-ylphenyl)carbamoyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 166790427
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole
CID 166803869
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;bis((3S,4R)-4-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide);4-pyridin-3-yl-1,3-thiazol-2-amine
CID 159741113
(4-pyridin-3-yl-1,3-thiazol-2-yl) 2,2-dimethylbutanoate
CID 174526765
tert-butyl 3-isoquinolin-5-yloxy-4-phenylpyrrolidine-1-carboxylate
CID 175367131
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
phenyl-(3-pyridin-3-yl-4-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46846380
3-(isoquinoline-5-carbonyl)-4-phenylpyrrolidine-1-carboxylic acid
CID 166790511
3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 22126635
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116968758

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid (CID 166790367) is (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid is O=C(O)N1C[C@H](Oc2nc(-c3cccnc3)cs2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid?
The InChIKey is ONUUBRZSZZZGPE-WBVHZDCISA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-19(24)22-10-15(13-5-2-1-3-6-13)17(11-22)25-18-21-16(12-26-18)14-7-4-8-20-9-14/h1-9,12,15,17H,10-11H2,(H,23,24)/t15-,17+/m1/s1.
What are the key properties of (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid?
(3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid has a molecular weight of 367.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-phenyl-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)oxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166790367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).