2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole

C13H16N2OS — CID 164708978

IUPAC2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCC(C)(C)c1cccc(OCc2nccs2)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)10-5-4-6-11(15-10)16-9-12-14-7-8-17-12/h4-8H,9H2,1-3H3
InChIKeyYKVOOKIDOUCUQG-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.41
Rot. Bonds3

About 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole

2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole (PubChem CID 164708978) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole
PubChem CID164708978
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole
SMILESCC(C)(C)c1cccc(OCc2nccs2)n1
InChIInChI=1S/C13H16N2OS/c1-13(2,3)10-5-4-6-11(15-10)16-9-12-14-7-8-17-12/h4-8H,9H2,1-3H3
InChIKeyYKVOOKIDOUCUQG-UHFFFAOYSA-N
XLogP3.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
The IUPAC name of 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole (CID 164708978) is 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole is CC(C)(C)c1cccc(OCc2nccs2)n1.
What is the InChIKey of 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
The InChIKey is YKVOOKIDOUCUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2,3)10-5-4-6-11(15-10)16-9-12-14-7-8-17-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole?
2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butyl-2-pyridinyl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 164708978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).