(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C13H19N3O3S — CID 9365356

IUPAC(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)Nc2nc(C)cs2)CC1=O
InChIInChI=1S/C13H19N3O3S/c1-8-7-20-13(14-8)15-12(18)10-4-11(17)16(5-10)9(2)6-19-3/h7,9-10H,4-6H2,1-3H3,(H,14,15,18)/t9-,10+/m1/s1
InChIKeyHSFGIPWCGFNZBQ-ZJUUUORDSA-N
MW297.38 g/mol
LogP1.27
Rot. Bonds5

About (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9365356) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9365356
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)Nc2nc(C)cs2)CC1=O
InChIInChI=1S/C13H19N3O3S/c1-8-7-20-13(14-8)15-12(18)10-4-11(17)16(5-10)9(2)6-19-3/h7,9-10H,4-6H2,1-3H3,(H,14,15,18)/t9-,10+/m1/s1
InChIKeyHSFGIPWCGFNZBQ-ZJUUUORDSA-N
XLogP1.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 9365290
(3S)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9365269
(3R)-N-(3,5-dimethylphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449876
(3R)-N-(1,3-benzothiazol-2-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364843
(3S)-N-(1,3-benzothiazol-2-yl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364846
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 9365397
(3S)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373758
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(1,2,4-triazol-4-yl)pyrrolidine-3-carboxamide
CID 9364836
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[(2S)-pentan-2-yl]pyrrolidine-3-carboxamide
CID 9365235
(3S)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-[(2S)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438469
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 9365356) is (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@@H](C(=O)Nc2nc(C)cs2)CC1=O.
What is the InChIKey of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HSFGIPWCGFNZBQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-7-20-13(14-8)15-12(18)10-4-11(17)16(5-10)9(2)6-19-3/h7,9-10H,4-6H2,1-3H3,(H,14,15,18)/t9-,10+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9365356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).