methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate

C8H10N2O4S — CID 175245711

IUPACmethyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate
SMILESCCC(=O)Oc1nc(N)sc1C(=O)OC
InChIInChI=1S/C8H10N2O4S/c1-3-4(11)14-6-5(7(12)13-2)15-8(9)10-6/h3H2,1-2H3,(H2,9,10)
InChIKeyCICDJWVOKJDJOP-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.83
Rot. Bonds3

About methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate

methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate (PubChem CID 175245711) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate
PubChem CID175245711
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Namemethyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate
SMILESCCC(=O)Oc1nc(N)sc1C(=O)OC
InChIInChI=1S/C8H10N2O4S/c1-3-4(11)14-6-5(7(12)13-2)15-8(9)10-6/h3H2,1-2H3,(H2,9,10)
InChIKeyCICDJWVOKJDJOP-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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-propanoyloxy-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate (CID 175245711) is methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate is CCC(=O)Oc1nc(N)sc1C(=O)OC.
What is the InChIKey of methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate?
The InChIKey is CICDJWVOKJDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-3-4(11)14-6-5(7(12)13-2)15-8(9)10-6/h3H2,1-2H3,(H2,9,10).
What are the key properties of methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate has a molecular weight of 230.24 g/mol, XLogP of 0.83, 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-propanoyloxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 175245711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).