5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole

C8H13NOS — CID 117188290

IUPAC5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole
SMILESCc1cnc(COC(C)C)s1
InChIInChI=1S/C8H13NOS/c1-6(2)10-5-8-9-4-7(3)11-8/h4,6H,5H2,1-3H3
InChIKeyLNKCXYGZLPUSJZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.38
Rot. Bonds3

About 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole

5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole (PubChem CID 117188290) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole
PubChem CID117188290
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole
SMILESCc1cnc(COC(C)C)s1
InChIInChI=1S/C8H13NOS/c1-6(2)10-5-8-9-4-7(3)11-8/h4,6H,5H2,1-3H3
InChIKeyLNKCXYGZLPUSJZ-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole (CID 117188290) is 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole is Cc1cnc(COC(C)C)s1.
What is the InChIKey of 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole?
The InChIKey is LNKCXYGZLPUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)10-5-8-9-4-7(3)11-8/h4,6H,5H2,1-3H3.
What are the key properties of 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole?
5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 117188290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).