methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate

C8H11NO4S — CID 53486132

IUPACmethyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(OC)OC)n1
InChIInChI=1S/C8H11NO4S/c1-11-7(10)5-4-14-6(9-5)8(12-2)13-3/h4,8H,1-3H3
InChIKeyXLOVIYHHLAAFFF-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate

methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate (PubChem CID 53486132) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate
PubChem CID53486132
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Namemethyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C(OC)OC)n1
InChIInChI=1S/C8H11NO4S/c1-11-7(10)5-4-14-6(9-5)8(12-2)13-3/h4,8H,1-3H3
InChIKeyXLOVIYHHLAAFFF-UHFFFAOYSA-N
XLogP1.22
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate (CID 53486132) is methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C(OC)OC)n1.
What is the InChIKey of methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is XLOVIYHHLAAFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-11-7(10)5-4-14-6(9-5)8(12-2)13-3/h4,8H,1-3H3.
What are the key properties of methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate?
methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 217.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethoxymethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53486132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).