[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate

C14H15N3O4S2 — CID 9129884

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H15N3O4S2/c1-8(12(19)17-14(20)15-2)21-11(18)5-10-7-23-13(16-10)9-3-4-22-6-9/h3-4,6-8H,5H2,1-2H3,(H2,15,17,19,20)/t8-/m1/s1
InChIKeyYOLAIABPKURNJR-MRVPVSSYSA-N
MW353.43 g/mol
LogP1.80
Rot. Bonds5

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 9129884) has the molecular formula C14H15N3O4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID9129884
Molecular FormulaC14H15N3O4S2
Molecular Weight353.43 g/mol
Exact Mass353.05
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H15N3O4S2/c1-8(12(19)17-14(20)15-2)21-11(18)5-10-7-23-13(16-10)9-3-4-22-6-9/h3-4,6-8H,5H2,1-2H3,(H2,15,17,19,20)/t8-/m1/s1
InChIKeyYOLAIABPKURNJR-MRVPVSSYSA-N
XLogP1.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130807
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130241
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 51477019
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130088
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129846
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129993
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130583
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 55406446
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130664
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997652
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129984
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815667

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate (CID 9129884) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate is CNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is YOLAIABPKURNJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15N3O4S2/c1-8(12(19)17-14(20)15-2)21-11(18)5-10-7-23-13(16-10)9-3-4-22-6-9/h3-4,6-8H,5H2,1-2H3,(H2,15,17,19,20)/t8-/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 353.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 9129884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).