2,4-ditert-butyl-1,3-thiazole 1-oxide

C11H19NOS — CID 164723776

IUPAC2,4-ditert-butyl-1,3-thiazole 1-oxide
SMILESCC(C)(C)C1=CS(=O)C(C(C)(C)C)=N1
InChIInChI=1S/C11H19NOS/c1-10(2,3)8-7-14(13)9(12-8)11(4,5)6/h7H,1-6H3
InChIKeyBRNAFJGXAAQCEQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.08
Rot. Bonds

About 2,4-ditert-butyl-1,3-thiazole 1-oxide

2,4-ditert-butyl-1,3-thiazole 1-oxide (PubChem CID 164723776) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,3-thiazole 1-oxide.

Molecular Properties

Compound Name2,4-ditert-butyl-1,3-thiazole 1-oxide
PubChem CID164723776
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,4-ditert-butyl-1,3-thiazole 1-oxide
SMILESCC(C)(C)C1=CS(=O)C(C(C)(C)C)=N1
InChIInChI=1S/C11H19NOS/c1-10(2,3)8-7-14(13)9(12-8)11(4,5)6/h7H,1-6H3
InChIKeyBRNAFJGXAAQCEQ-UHFFFAOYSA-N
XLogP3.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diethyl-1,3-thiazole 1-oxide
CID 141184571
2,4-Di(propan-2-yl)-1,3-thiazole 1-oxide
CID 141192478
5-tert-butyl-2-methylsulfinyl-3H-pyrrole
CID 157084403
(5-tert-butyl-3H-pyrrol-2-yl)-methyl-methylidene-oxo-lambda6-sulfane
CID 157272708

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1,3-thiazole 1-oxide?
The IUPAC name of 2,4-ditert-butyl-1,3-thiazole 1-oxide (CID 164723776) is 2,4-ditert-butyl-1,3-thiazole 1-oxide.
What is the SMILES notation for 2,4-ditert-butyl-1,3-thiazole 1-oxide?
The canonical SMILES for 2,4-ditert-butyl-1,3-thiazole 1-oxide is CC(C)(C)C1=CS(=O)C(C(C)(C)C)=N1.
What is the InChIKey of 2,4-ditert-butyl-1,3-thiazole 1-oxide?
The InChIKey is BRNAFJGXAAQCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-10(2,3)8-7-14(13)9(12-8)11(4,5)6/h7H,1-6H3.
What are the key properties of 2,4-ditert-butyl-1,3-thiazole 1-oxide?
2,4-ditert-butyl-1,3-thiazole 1-oxide has a molecular weight of 213.35 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1,3-thiazole 1-oxide is sourced from PubChem (CID 164723776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).