2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole

C7H11NOS — CID 45121866

IUPAC2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole
SMILESCOCc1nc(C)c(C)s1
InChIInChI=1S/C7H11NOS/c1-5-6(2)10-7(8-5)4-9-3/h4H2,1-3H3
InChIKeyUBAALENTBDXNML-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.91
Rot. Bonds2

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

2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole (PubChem CID 45121866) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole
PubChem CID45121866
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole
SMILESCOCc1nc(C)c(C)s1
InChIInChI=1S/C7H11NOS/c1-5-6(2)10-7(8-5)4-9-3/h4H2,1-3H3
InChIKeyUBAALENTBDXNML-UHFFFAOYSA-N
XLogP1.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole (CID 45121866) is 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole is COCc1nc(C)c(C)s1.
What is the InChIKey of 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is UBAALENTBDXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-6(2)10-7(8-5)4-9-3/h4H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole?
2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 45121866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).