3-tert-butyl-5-methoxy-1,2-thiazole

C8H13NOS — CID 146378648

IUPAC3-tert-butyl-5-methoxy-1,2-thiazole
SMILESCOc1cc(C(C)(C)C)ns1
InChIInChI=1S/C8H13NOS/c1-8(2,3)6-5-7(10-4)11-9-6/h5H,1-4H3
InChIKeyPLKZHIUSELMDRJ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.45
Rot. Bonds1

About 3-tert-butyl-5-methoxy-1,2-thiazole

3-tert-butyl-5-methoxy-1,2-thiazole (PubChem CID 146378648) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxy-1,2-thiazole.

Molecular Properties

Compound Name3-tert-butyl-5-methoxy-1,2-thiazole
PubChem CID146378648
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name3-tert-butyl-5-methoxy-1,2-thiazole
SMILESCOc1cc(C(C)(C)C)ns1
InChIInChI=1S/C8H13NOS/c1-8(2,3)6-5-7(10-4)11-9-6/h5H,1-4H3
InChIKeyPLKZHIUSELMDRJ-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 3-tert-butyl-5-methoxy-1,2-thiazole?
The IUPAC name of 3-tert-butyl-5-methoxy-1,2-thiazole (CID 146378648) is 3-tert-butyl-5-methoxy-1,2-thiazole.
What is the SMILES notation for 3-tert-butyl-5-methoxy-1,2-thiazole?
The canonical SMILES for 3-tert-butyl-5-methoxy-1,2-thiazole is COc1cc(C(C)(C)C)ns1.
What is the InChIKey of 3-tert-butyl-5-methoxy-1,2-thiazole?
The InChIKey is PLKZHIUSELMDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-8(2,3)6-5-7(10-4)11-9-6/h5H,1-4H3.
What are the key properties of 3-tert-butyl-5-methoxy-1,2-thiazole?
3-tert-butyl-5-methoxy-1,2-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 3-tert-butyl-5-methoxy-1,2-thiazole is sourced from PubChem (CID 146378648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).