(2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C24H30N4O5S — CID 138612089

IUPAC(2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C24H30N4O5S/c1-16-22(34-15-26-16)18-7-5-17(6-8-18)12-25-23(30)19-4-3-9-28(19)24(31)20-13-33-11-10-27(20)21(29)14-32-2/h5-8,15,19-20H,3-4,9-14H2,1-2H3,(H,25,30)/t19-,20-/m0/s1
InChIKeyNBUUOJIRKLGCJV-PMACEKPBSA-N
MW486.59 g/mol
LogP1.60
Rot. Bonds7

About (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 138612089) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID138612089
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name(2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOCC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C24H30N4O5S/c1-16-22(34-15-26-16)18-7-5-17(6-8-18)12-25-23(30)19-4-3-9-28(19)24(31)20-13-33-11-10-27(20)21(29)14-32-2/h5-8,15,19-20H,3-4,9-14H2,1-2H3,(H,25,30)/t19-,20-/m0/s1
InChIKeyNBUUOJIRKLGCJV-PMACEKPBSA-N
XLogP1.60
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoacetyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 177181720
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 123596554
1-(2-formamidoacetyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146519093
1-(3,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;methanamine;methane
CID 170703708
1-(2,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;ethane
CID 176987930
(2S)-1-(3,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propan-2-amine;yttrium
CID 170703865
(2S)-1-(2-cyclopentylpropanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146358234
(2S)-1-[(2S)-2-[[(2S)-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]amino]propanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 155026969
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;ethane
CID 142390530
1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 142364815
tert-butyl N-[1-[2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123579625
1-[3-methyl-2-(2-methyl-1H-imidazol-5-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 156720322

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 138612089) is (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is COCC(=O)N1CCOC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1.
What is the InChIKey of (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NBUUOJIRKLGCJV-PMACEKPBSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-16-22(34-15-26-16)18-7-5-17(6-8-18)12-25-23(30)19-4-3-9-28(19)24(31)20-13-33-11-10-27(20)21(29)14-32-2/h5-8,15,19-20H,3-4,9-14H2,1-2H3,(H,25,30)/t19-,20-/m0/s1.
What are the key properties of (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3S)-4-(2-methoxyacetyl)morpholine-3-carbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138612089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).