2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole

C12H15NOS — CID 89461022

IUPAC2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
SMILESCc1nc2cc(OC(C)(C)C)ccc2s1
InChIInChI=1S/C12H15NOS/c1-8-13-10-7-9(14-12(2,3)4)5-6-11(10)15-8/h5-7H,1-4H3
InChIKeyAQYFOSKJPZIKNS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.78
Rot. Bonds1

About 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole

2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole (PubChem CID 89461022) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
PubChem CID89461022
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
SMILESCc1nc2cc(OC(C)(C)C)ccc2s1
InChIInChI=1S/C12H15NOS/c1-8-13-10-7-9(14-12(2,3)4)5-6-11(10)15-8/h5-7H,1-4H3
InChIKeyAQYFOSKJPZIKNS-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole (CID 89461022) is 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole is Cc1nc2cc(OC(C)(C)C)ccc2s1.
What is the InChIKey of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole?
The InChIKey is AQYFOSKJPZIKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-13-10-7-9(14-12(2,3)4)5-6-11(10)15-8/h5-7H,1-4H3.
What are the key properties of 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole?
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole has a molecular weight of 221.32 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole is sourced from PubChem (CID 89461022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).