2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole

C15H21NOS — CID 134415051

IUPAC2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole
SMILESCOc1cc(C(C)C)cc2sc(C(C)(C)C)nc12
InChIInChI=1S/C15H21NOS/c1-9(2)10-7-11(17-6)13-12(8-10)18-14(16-13)15(3,4)5/h7-9H,1-6H3
InChIKeyPJFWCFHWIBAZLN-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.73
Rot. Bonds2

About 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole

2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole (PubChem CID 134415051) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole
PubChem CID134415051
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole
SMILESCOc1cc(C(C)C)cc2sc(C(C)(C)C)nc12
InChIInChI=1S/C15H21NOS/c1-9(2)10-7-11(17-6)13-12(8-10)18-14(16-13)15(3,4)5/h7-9H,1-6H3
InChIKeyPJFWCFHWIBAZLN-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole (CID 134415051) is 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole is COc1cc(C(C)C)cc2sc(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole?
The InChIKey is PJFWCFHWIBAZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-9(2)10-7-11(17-6)13-12(8-10)18-14(16-13)15(3,4)5/h7-9H,1-6H3.
What are the key properties of 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole?
2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole has a molecular weight of 263.41 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxy-6-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 134415051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).