methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate

C10H14N2O4S — CID 112548860

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cncs1
InChIInChI=1S/C10H14N2O4S/c1-15-9(13)5-12(6-10(14)16-2)4-8-3-11-7-17-8/h3,7H,4-6H2,1-2H3
InChIKeyBEULCHSAVFTLEV-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.29
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate (PubChem CID 112548860) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate
PubChem CID112548860
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)Cc1cncs1
InChIInChI=1S/C10H14N2O4S/c1-15-9(13)5-12(6-10(14)16-2)4-8-3-11-7-17-8/h3,7H,4-6H2,1-2H3
InChIKeyBEULCHSAVFTLEV-UHFFFAOYSA-N
XLogP0.29
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate (CID 112548860) is methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate is COC(=O)CN(CC(=O)OC)Cc1cncs1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate?
The InChIKey is BEULCHSAVFTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-15-9(13)5-12(6-10(14)16-2)4-8-3-11-7-17-8/h3,7H,4-6H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate has a molecular weight of 258.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(1,3-thiazol-5-ylmethyl)amino]acetate is sourced from PubChem (CID 112548860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).