6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane

C15H23NS — CID 142320199

IUPAC6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
SMILESCC.CCc1nc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C13H17NS.C2H6/c1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyQRLJDJVEYQJZCR-UHFFFAOYSA-N
MW249.42 g/mol
LogP5.18
Rot. Bonds1

About 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane

6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane (PubChem CID 142320199) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
PubChem CID142320199
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
SMILESCC.CCc1nc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C13H17NS.C2H6/c1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyQRLJDJVEYQJZCR-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane?
The IUPAC name of 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane (CID 142320199) is 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane.
What is the SMILES notation for 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane?
The canonical SMILES for 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane is CC.CCc1nc2ccc(C(C)(C)C)cc2s1.
What is the InChIKey of 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane?
The InChIKey is QRLJDJVEYQJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C2H6/c1-5-12-14-10-7-6-9(13(2,3)4)8-11(10)15-12;1-2/h6-8H,5H2,1-4H3;1-2H3.
What are the key properties of 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane?
6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane has a molecular weight of 249.42 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane is sourced from PubChem (CID 142320199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).