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

C13H20N2O4S — CID 61021434

IUPACethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1c(C)csc1=O)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-5-19-12(17)7-14(9(2)3)11(16)6-15-10(4)8-20-13(15)18/h8-9H,5-7H2,1-4H3
InChIKeyIRDYEMVQIWEFLE-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.02
Rot. Bonds6

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

ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate (PubChem CID 61021434) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
PubChem CID61021434
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1c(C)csc1=O)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-5-19-12(17)7-14(9(2)3)11(16)6-15-10(4)8-20-13(15)18/h8-9H,5-7H2,1-4H3
InChIKeyIRDYEMVQIWEFLE-UHFFFAOYSA-N
XLogP1.02
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-phenyl-N-propan-2-ylacetamide
CID 87037715
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113476055
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30256076
N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836500
2-[butan-2-yl-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoyl]amino]acetic acid
CID 60829210
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate
CID 61022067
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethanethioamide
CID 43287094
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 61008566
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
N-(4-ethoxyphenyl)sulfonyl-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 167959621

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate (CID 61021434) is ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)Cn1c(C)csc1=O)C(C)C.
What is the InChIKey of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate?
The InChIKey is IRDYEMVQIWEFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-5-19-12(17)7-14(9(2)3)11(16)6-15-10(4)8-20-13(15)18/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate has a molecular weight of 300.38 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61021434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).