ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate

C7H10N2O2S — CID 54593333

IUPACethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8-2)12-4-9-5/h4,8H,3H2,1-2H3
InChIKeyGFPQIPQFZKUSOB-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.36
Rot. Bonds3

About ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate

ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate (PubChem CID 54593333) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
PubChem CID54593333
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Nameethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC
InChIInChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8-2)12-4-9-5/h4,8H,3H2,1-2H3
InChIKeyGFPQIPQFZKUSOB-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate (CID 54593333) is ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NC.
What is the InChIKey of ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is GFPQIPQFZKUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8-2)12-4-9-5/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 54593333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).