methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate

C7H9NO3S — CID 80572721

IUPACmethyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOCc1ncc(C(=O)OC)s1
InChIInChI=1S/C7H9NO3S/c1-10-4-6-8-3-5(12-6)7(9)11-2/h3H,4H2,1-2H3
InChIKeyDQXFVHMQKGUFBI-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate

methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate (PubChem CID 80572721) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate
PubChem CID80572721
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Namemethyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate
SMILESCOCc1ncc(C(=O)OC)s1
InChIInChI=1S/C7H9NO3S/c1-10-4-6-8-3-5(12-6)7(9)11-2/h3H,4H2,1-2H3
InChIKeyDQXFVHMQKGUFBI-UHFFFAOYSA-N
XLogP1.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate (CID 80572721) is methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate is COCc1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DQXFVHMQKGUFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-10-4-6-8-3-5(12-6)7(9)11-2/h3H,4H2,1-2H3.
What are the key properties of methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate?
methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 187.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).