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

C8H10N2O4S — CID 32639824

IUPACmethyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)Cc1nc(N)sc1C(=O)OC
InChIInChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3,(H2,9,10)
InChIKeyPXALLAPTWSEEKF-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.23
Rot. Bonds3

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

methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate (PubChem CID 32639824) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
PubChem CID32639824
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Namemethyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)Cc1nc(N)sc1C(=O)OC
InChIInChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3,(H2,9,10)
InChIKeyPXALLAPTWSEEKF-UHFFFAOYSA-N
XLogP0.23
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate (CID 32639824) is methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate is COC(=O)Cc1nc(N)sc1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is PXALLAPTWSEEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3,(H2,9,10).
What are the key properties of methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 230.24 g/mol, XLogP of 0.23, 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 is sourced from PubChem (CID 32639824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).