methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate

C8H10N2O3S — CID 112617326

IUPACmethyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
SMILESCOC(=O)C(=O)NC(C)c1nccs1
InChIInChI=1S/C8H10N2O3S/c1-5(7-9-3-4-14-7)10-6(11)8(12)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyBOEMNTYSDCWWJA-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.49
Rot. Bonds2

About methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate

methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate (PubChem CID 112617326) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
PubChem CID112617326
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
SMILESCOC(=O)C(=O)NC(C)c1nccs1
InChIInChI=1S/C8H10N2O3S/c1-5(7-9-3-4-14-7)10-6(11)8(12)13-2/h3-5H,1-2H3,(H,10,11)
InChIKeyBOEMNTYSDCWWJA-UHFFFAOYSA-N
XLogP0.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
methyl 3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butanoate
CID 64993357
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97312027
methyl 2-oxo-2-(1-thiophen-2-ylethylamino)acetate
CID 112616741
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572
ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
CID 95979285
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96546435
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107030822

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate?
The IUPAC name of methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate (CID 112617326) is methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate.
What is the SMILES notation for methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate?
The canonical SMILES for methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate is COC(=O)C(=O)NC(C)c1nccs1.
What is the InChIKey of methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate?
The InChIKey is BOEMNTYSDCWWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-5(7-9-3-4-14-7)10-6(11)8(12)13-2/h3-5H,1-2H3,(H,10,11).
What are the key properties of methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate?
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate has a molecular weight of 214.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate is sourced from PubChem (CID 112617326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).