[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C11H16N2O4S — CID 30256076

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC(C)C
InChIInChI=1S/C11H16N2O4S/c1-7(2)12-9(14)5-17-10(15)4-13-8(3)6-18-11(13)16/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyPMGPUUAVXGRTMU-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.29
Rot. Bonds5

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 30256076) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID30256076
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC(C)C
InChIInChI=1S/C11H16N2O4S/c1-7(2)12-9(14)5-17-10(15)4-13-8(3)6-18-11(13)16/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyPMGPUUAVXGRTMU-UHFFFAOYSA-N
XLogP0.29
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813626
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 30261130
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9112915
[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9380086
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8814196
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9380070
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 18288635
(2S)-3-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61137861
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
CID 61021434

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 30256076) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is PMGPUUAVXGRTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(2)12-9(14)5-17-10(15)4-13-8(3)6-18-11(13)16/h6-7H,4-5H2,1-3H3,(H,12,14).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 272.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 30256076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).