3,4,5-tritert-butyl-1,3-thiazol-2-one

C15H27NOS — CID 89447010

IUPAC3,4,5-tritert-butyl-1,3-thiazol-2-one
SMILESCC(C)(C)c1sc(=O)n(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H27NOS/c1-13(2,3)10-11(14(4,5)6)18-12(17)16(10)15(7,8)9/h1-9H3
InChIKeyHJALMOPOVUBYIY-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.26
Rot. Bonds

About 3,4,5-tritert-butyl-1,3-thiazol-2-one

3,4,5-tritert-butyl-1,3-thiazol-2-one (PubChem CID 89447010) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 3,4,5-tritert-butyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3,4,5-tritert-butyl-1,3-thiazol-2-one
PubChem CID89447010
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name3,4,5-tritert-butyl-1,3-thiazol-2-one
SMILESCC(C)(C)c1sc(=O)n(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H27NOS/c1-13(2,3)10-11(14(4,5)6)18-12(17)16(10)15(7,8)9/h1-9H3
InChIKeyHJALMOPOVUBYIY-UHFFFAOYSA-N
XLogP4.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tritert-butyl-1,3-thiazol-2-one?
The IUPAC name of 3,4,5-tritert-butyl-1,3-thiazol-2-one (CID 89447010) is 3,4,5-tritert-butyl-1,3-thiazol-2-one.
What is the SMILES notation for 3,4,5-tritert-butyl-1,3-thiazol-2-one?
The canonical SMILES for 3,4,5-tritert-butyl-1,3-thiazol-2-one is CC(C)(C)c1sc(=O)n(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 3,4,5-tritert-butyl-1,3-thiazol-2-one?
The InChIKey is HJALMOPOVUBYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-13(2,3)10-11(14(4,5)6)18-12(17)16(10)15(7,8)9/h1-9H3.
What are the key properties of 3,4,5-tritert-butyl-1,3-thiazol-2-one?
3,4,5-tritert-butyl-1,3-thiazol-2-one has a molecular weight of 269.45 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tritert-butyl-1,3-thiazol-2-one is sourced from PubChem (CID 89447010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).