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

C10H14N2O4S — CID 43408823

IUPACmethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O4S/c1-7-6-17-10(15)12(7)4-8(13)11(2)5-9(14)16-3/h6H,4-5H2,1-3H3
InChIKeyDGEHFZHSZIRHHB-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.15
Rot. Bonds4

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

methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (PubChem CID 43408823) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
PubChem CID43408823
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C10H14N2O4S/c1-7-6-17-10(15)12(7)4-8(13)11(2)5-9(14)16-3/h6H,4-5H2,1-3H3
InChIKeyDGEHFZHSZIRHHB-UHFFFAOYSA-N
XLogP-0.15
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate (CID 43408823) is methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is COC(=O)CN(C)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
The InChIKey is DGEHFZHSZIRHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7-6-17-10(15)12(7)4-8(13)11(2)5-9(14)16-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate?
methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate has a molecular weight of 258.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 43408823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).