4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole

C8H13NO2S — CID 174107151

IUPAC4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole
SMILESCOCc1nc(C)sc1COC
InChIInChI=1S/C8H13NO2S/c1-6-9-7(4-10-2)8(12-6)5-11-3/h4-5H2,1-3H3
InChIKeyOKFNQQVCUZXYHQ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.74
Rot. Bonds4

About 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole

4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole (PubChem CID 174107151) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole
PubChem CID174107151
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole
SMILESCOCc1nc(C)sc1COC
InChIInChI=1S/C8H13NO2S/c1-6-9-7(4-10-2)8(12-6)5-11-3/h4-5H2,1-3H3
InChIKeyOKFNQQVCUZXYHQ-UHFFFAOYSA-N
XLogP1.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole (CID 174107151) is 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole is COCc1nc(C)sc1COC.
What is the InChIKey of 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole?
The InChIKey is OKFNQQVCUZXYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6-9-7(4-10-2)8(12-6)5-11-3/h4-5H2,1-3H3.
What are the key properties of 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole?
4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole has a molecular weight of 187.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 174107151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).