4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide

C23H28N4O5S — CID 123993967

IUPAC4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C)N2CCOCC2=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-14-21(33-13-25-14)17-5-3-16(4-6-17)10-24-22(30)19-9-18(28)11-27(19)23(31)15(2)26-7-8-32-12-20(26)29/h3-6,13,15,18-19,28H,7-12H2,1-2H3,(H,24,30)
InChIKeyPWELSVKZIPYTGH-UHFFFAOYSA-N
MW472.57 g/mol
LogP0.94
Rot. Bonds6

About 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 123993967) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID123993967
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Name4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C)N2CCOCC2=O)cc1
InChIInChI=1S/C23H28N4O5S/c1-14-21(33-13-25-14)17-5-3-16(4-6-17)10-24-22(30)19-9-18(28)11-27(19)23(31)15(2)26-7-8-32-12-20(26)29/h3-6,13,15,18-19,28H,7-12H2,1-2H3,(H,24,30)
InChIKeyPWELSVKZIPYTGH-UHFFFAOYSA-N
XLogP0.94
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-(2-methylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 170171241
(2S,4R)-1-[2-[acetyl(methyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122529190
(2S,4R)-1-[(2S)-3,3-dimethyl-2-propan-2-ylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 146201796
(2S,4R)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(2H-pyridin-1-yl)propanoyl]pyrrolidine-2-carboxamide
CID 146358533
(4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166068517
(2R,4S)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 135157029
(2S,4R)-1-[(2R)-2-amino-3,3,3-trifluoropropanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134582230
(2S,4S)-1-[(2S)-2-ethyl-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 157298407
1-[2-cyclopropyl-2-(propan-2-ylamino)acetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166564735
(4R)-1-[(2S)-2-(tert-butylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 166016717
[(2S)-1-[(4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 139433243
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122528933

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide (CID 123993967) is 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C)N2CCOCC2=O)cc1.
What is the InChIKey of 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is PWELSVKZIPYTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-14-21(33-13-25-14)17-5-3-16(4-6-17)10-24-22(30)19-9-18(28)11-27(19)23(31)15(2)26-7-8-32-12-20(26)29/h3-6,13,15,18-19,28H,7-12H2,1-2H3,(H,24,30).
What are the key properties of 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[2-(3-oxomorpholin-4-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123993967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).