[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

C14H19N3O4S — CID 8667880

IUPAC[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCCNC(=O)[C@H](C)OC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C14H19N3O4S/c1-3-15-13(20)9(2)21-12(19)7-10-8-22-14(16-10)17-6-4-5-11(17)18/h8-9H,3-7H2,1-2H3,(H,15,20)/t9-/m0/s1
InChIKeySNEHARHRRSKWDA-VIFPVBQESA-N
MW325.39 g/mol
LogP0.88
Rot. Bonds6

About [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 8667880) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
PubChem CID8667880
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
SMILESCCNC(=O)[C@H](C)OC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C14H19N3O4S/c1-3-15-13(20)9(2)21-12(19)7-10-8-22-14(16-10)17-6-4-5-11(17)18/h8-9H,3-7H2,1-2H3,(H,15,20)/t9-/m0/s1
InChIKeySNEHARHRRSKWDA-VIFPVBQESA-N
XLogP0.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667810
1-cyanoethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 46609818
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667884
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667866
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
2-(4-methylphenoxy)ethyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667804
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200316
[2-(benzylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667673
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 55403653

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate (CID 8667880) is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is CCNC(=O)[C@H](C)OC(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is SNEHARHRRSKWDA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-3-15-13(20)9(2)21-12(19)7-10-8-22-14(16-10)17-6-4-5-11(17)18/h8-9H,3-7H2,1-2H3,(H,15,20)/t9-/m0/s1.
What are the key properties of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate?
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 325.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8667880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).