2-tert-butyl-4-methoxy-1,3-thiazole

C8H13NOS — CID 58221443

IUPAC2-tert-butyl-4-methoxy-1,3-thiazole
SMILESCOc1csc(C(C)(C)C)n1
InChIInChI=1S/C8H13NOS/c1-8(2,3)7-9-6(10-4)5-11-7/h5H,1-4H3
InChIKeyWEQUNHAESCJHHE-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.45
Rot. Bonds1

About 2-tert-butyl-4-methoxy-1,3-thiazole

2-tert-butyl-4-methoxy-1,3-thiazole (PubChem CID 58221443) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-1,3-thiazole
PubChem CID58221443
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-tert-butyl-4-methoxy-1,3-thiazole
SMILESCOc1csc(C(C)(C)C)n1
InChIInChI=1S/C8H13NOS/c1-8(2,3)7-9-6(10-4)5-11-7/h5H,1-4H3
InChIKeyWEQUNHAESCJHHE-UHFFFAOYSA-N
XLogP2.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-methoxy-1,3-thiazole (CID 58221443) is 2-tert-butyl-4-methoxy-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-methoxy-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-methoxy-1,3-thiazole is COc1csc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-methoxy-1,3-thiazole?
The InChIKey is WEQUNHAESCJHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-8(2,3)7-9-6(10-4)5-11-7/h5H,1-4H3.
What are the key properties of 2-tert-butyl-4-methoxy-1,3-thiazole?
2-tert-butyl-4-methoxy-1,3-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-1,3-thiazole is sourced from PubChem (CID 58221443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).