4-methoxy-2-(2-methylpropyl)-1,3-thiazole

C8H13NOS — CID 22758950

IUPAC4-methoxy-2-(2-methylpropyl)-1,3-thiazole
SMILESCOc1csc(CC(C)C)n1
InChIInChI=1S/C8H13NOS/c1-6(2)4-8-9-7(10-3)5-11-8/h5-6H,4H2,1-3H3
InChIKeyRGUSNUIJHUKREA-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.35
Rot. Bonds3

About 4-methoxy-2-(2-methylpropyl)-1,3-thiazole

4-methoxy-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 22758950) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-(2-methylpropyl)-1,3-thiazole
PubChem CID22758950
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name4-methoxy-2-(2-methylpropyl)-1,3-thiazole
SMILESCOc1csc(CC(C)C)n1
InChIInChI=1S/C8H13NOS/c1-6(2)4-8-9-7(10-3)5-11-8/h5-6H,4H2,1-3H3
InChIKeyRGUSNUIJHUKREA-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 4-methoxy-2-(2-methylpropyl)-1,3-thiazole (CID 22758950) is 4-methoxy-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-(2-methylpropyl)-1,3-thiazole is COc1csc(CC(C)C)n1.
What is the InChIKey of 4-methoxy-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is RGUSNUIJHUKREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)4-8-9-7(10-3)5-11-8/h5-6H,4H2,1-3H3.
What are the key properties of 4-methoxy-2-(2-methylpropyl)-1,3-thiazole?
4-methoxy-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 22758950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).