ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate

C8H12N2O3S — CID 125420678

IUPACethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)OC)s1
InChIInChI=1S/C8H12N2O3S/c1-4-13-7(11)6-5-9-8(14-6)10(2)12-3/h5H,4H2,1-3H3
InChIKeyLCUDUMQBENNIMZ-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 125420678) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID125420678
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Nameethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)OC)s1
InChIInChI=1S/C8H12N2O3S/c1-4-13-7(11)6-5-9-8(14-6)10(2)12-3/h5H,4H2,1-3H3
InChIKeyLCUDUMQBENNIMZ-UHFFFAOYSA-N
XLogP1.32
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate (CID 125420678) is ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N(C)OC)s1.
What is the InChIKey of ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LCUDUMQBENNIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-4-13-7(11)6-5-9-8(14-6)10(2)12-3/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 216.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 125420678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).