methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride

C8H11ClN2O4S — CID 43819153

IUPACmethyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)Cc1nc(N)sc1C(=O)OC.Cl
InChIInChI=1S/C8H10N2O4S.ClH/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4;/h3H2,1-2H3,(H2,9,10);1H
InChIKeyZONFFTSIUQUDSI-UHFFFAOYSA-N
MW266.71 g/mol
LogP0.65
Rot. Bonds3

About methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride

methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 43819153) has the molecular formula C8H11ClN2O4S and a molecular weight of 266.71 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID43819153
Molecular FormulaC8H11ClN2O4S
Molecular Weight266.71 g/mol
Exact Mass266.01
IUPAC Namemethyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCOC(=O)Cc1nc(N)sc1C(=O)OC.Cl
InChIInChI=1S/C8H10N2O4S.ClH/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4;/h3H2,1-2H3,(H2,9,10);1H
InChIKeyZONFFTSIUQUDSI-UHFFFAOYSA-N
XLogP0.65
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride (CID 43819153) is methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride is COC(=O)Cc1nc(N)sc1C(=O)OC.Cl.
What is the InChIKey of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is ZONFFTSIUQUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S.ClH/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4;/h3H2,1-2H3,(H2,9,10);1H.
What are the key properties of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 266.71 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 43819153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).