2,4-ditert-butyl-5-methyl-6H-1,3-thiazine

C13H23NS — CID 166891520

IUPAC2,4-ditert-butyl-5-methyl-6H-1,3-thiazine
SMILESCC1=C(C(C)(C)C)N=C(C(C)(C)C)SC1
InChIInChI=1S/C13H23NS/c1-9-8-15-11(13(5,6)7)14-10(9)12(2,3)4/h8H2,1-7H3
InChIKeyOVKOBRSBMOQJDL-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.50
Rot. Bonds

About 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine

2,4-ditert-butyl-5-methyl-6H-1,3-thiazine (PubChem CID 166891520) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine.

Molecular Properties

Compound Name2,4-ditert-butyl-5-methyl-6H-1,3-thiazine
PubChem CID166891520
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2,4-ditert-butyl-5-methyl-6H-1,3-thiazine
SMILESCC1=C(C(C)(C)C)N=C(C(C)(C)C)SC1
InChIInChI=1S/C13H23NS/c1-9-8-15-11(13(5,6)7)14-10(9)12(2,3)4/h8H2,1-7H3
InChIKeyOVKOBRSBMOQJDL-UHFFFAOYSA-N
XLogP4.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine?
The IUPAC name of 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine (CID 166891520) is 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine.
What is the SMILES notation for 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine?
The canonical SMILES for 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine is CC1=C(C(C)(C)C)N=C(C(C)(C)C)SC1.
What is the InChIKey of 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine?
The InChIKey is OVKOBRSBMOQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-9-8-15-11(13(5,6)7)14-10(9)12(2,3)4/h8H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-5-methyl-6H-1,3-thiazine?
2,4-ditert-butyl-5-methyl-6H-1,3-thiazine has a molecular weight of 225.40 g/mol, XLogP of 4.50, 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-5-methyl-6H-1,3-thiazine is sourced from PubChem (CID 166891520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).