2-tert-butyl-3H-1,2-thiazole 1-oxide

C7H13NOS — CID 67882784

IUPAC2-tert-butyl-3H-1,2-thiazole 1-oxide
SMILESCC(C)(C)N1CC=CS1=O
InChIInChI=1S/C7H13NOS/c1-7(2,3)8-5-4-6-10(8)9/h4,6H,5H2,1-3H3
InChIKeySLVQFKKKCOQRAA-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.28
Rot. Bonds

About 2-tert-butyl-3H-1,2-thiazole 1-oxide

2-tert-butyl-3H-1,2-thiazole 1-oxide (PubChem CID 67882784) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-tert-butyl-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name2-tert-butyl-3H-1,2-thiazole 1-oxide
PubChem CID67882784
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-tert-butyl-3H-1,2-thiazole 1-oxide
SMILESCC(C)(C)N1CC=CS1=O
InChIInChI=1S/C7H13NOS/c1-7(2,3)8-5-4-6-10(8)9/h4,6H,5H2,1-3H3
InChIKeySLVQFKKKCOQRAA-UHFFFAOYSA-N
XLogP1.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-1,2-thiazole 1-oxide?
The IUPAC name of 2-tert-butyl-3H-1,2-thiazole 1-oxide (CID 67882784) is 2-tert-butyl-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 2-tert-butyl-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 2-tert-butyl-3H-1,2-thiazole 1-oxide is CC(C)(C)N1CC=CS1=O.
What is the InChIKey of 2-tert-butyl-3H-1,2-thiazole 1-oxide?
The InChIKey is SLVQFKKKCOQRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)8-5-4-6-10(8)9/h4,6H,5H2,1-3H3.
What are the key properties of 2-tert-butyl-3H-1,2-thiazole 1-oxide?
2-tert-butyl-3H-1,2-thiazole 1-oxide has a molecular weight of 159.25 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 67882784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).