(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

C23H24FN3O2S — CID 134807837

IUPAC(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-15-25-20(14-30-15)13-27-12-17(11-22(27)16-3-5-18(24)6-4-16)23(28)26-19-7-9-21(29-2)10-8-19/h3-10,14,17,22H,11-13H2,1-2H3,(H,26,28)/t17-,22-/m1/s1
InChIKeyYILHRCUWLFZBGN-VGOFRKELSA-N
MW425.53 g/mol
LogP4.80
Rot. Bonds6

About (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide

(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 134807837) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID134807837
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)cc1
InChIInChI=1S/C23H24FN3O2S/c1-15-25-20(14-30-15)13-27-12-17(11-22(27)16-3-5-18(24)6-4-16)23(28)26-19-7-9-21(29-2)10-8-19/h3-10,14,17,22H,11-13H2,1-2H3,(H,26,28)/t17-,22-/m1/s1
InChIKeyYILHRCUWLFZBGN-VGOFRKELSA-N
XLogP4.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472598
2-[4-[[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 4783847
5-(2-Fluoro-6-methoxyphenyl)-3-methyl-1-((2-(p-tolyl)thiazol-4-yl)methyl)pyrrolidin-2-one
CID 69081676
US11033539, Cpd. No. 11-4
CID 162370336
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-3-(4-methoxyphenyl)propanamide
CID 7518483
N'-(4-Ethoxyphenyl)-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7522175
2-benzyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 1491567
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)-3-(4-methoxyphenyl)propanamide
CID 7522120
(3R,5R)-5-(4-fluorophenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 134805736
(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxy-2-methylphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 134806373
(3R,5R)-5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 134807839

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 134807837) is (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2C[C@H](c3ccc(F)cc3)N(Cc3csc(C)n3)C2)cc1.
What is the InChIKey of (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YILHRCUWLFZBGN-VGOFRKELSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-15-25-20(14-30-15)13-27-12-17(11-22(27)16-3-5-18(24)6-4-16)23(28)26-19-7-9-21(29-2)10-8-19/h3-10,14,17,22H,11-13H2,1-2H3,(H,26,28)/t17-,22-/m1/s1.
What are the key properties of (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134807837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).