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

C11H13NOS — CID 59344608

IUPAC3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole
SMILESCC(C)(C)Oc1nsc2ccccc12
InChIInChI=1S/C11H13NOS/c1-11(2,3)13-10-8-6-4-5-7-9(8)14-12-10/h4-7H,1-3H3
InChIKeyLNNLILVMPRKRBK-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.47
Rot. Bonds1

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

3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole (PubChem CID 59344608) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole
PubChem CID59344608
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole
SMILESCC(C)(C)Oc1nsc2ccccc12
InChIInChI=1S/C11H13NOS/c1-11(2,3)13-10-8-6-4-5-7-9(8)14-12-10/h4-7H,1-3H3
InChIKeyLNNLILVMPRKRBK-UHFFFAOYSA-N
XLogP3.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole (CID 59344608) is 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole is CC(C)(C)Oc1nsc2ccccc12.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole?
The InChIKey is LNNLILVMPRKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(2,3)13-10-8-6-4-5-7-9(8)14-12-10/h4-7H,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole?
3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole has a molecular weight of 207.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1,2-benzothiazole is sourced from PubChem (CID 59344608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).