6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole

C12H15NS — CID 59800707

IUPAC6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole
SMILESCc1ccc2nc(C(C)C)sc2c1C
InChIInChI=1S/C12H15NS/c1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12/h5-7H,1-4H3
InChIKeyPSCAXOVPLIOEBJ-UHFFFAOYSA-N
MW205.33 g/mol
LogP4.04
Rot. Bonds1

About 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole

6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole (PubChem CID 59800707) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole
PubChem CID59800707
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole
SMILESCc1ccc2nc(C(C)C)sc2c1C
InChIInChI=1S/C12H15NS/c1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12/h5-7H,1-4H3
InChIKeyPSCAXOVPLIOEBJ-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole (CID 59800707) is 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole is Cc1ccc2nc(C(C)C)sc2c1C.
What is the InChIKey of 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is PSCAXOVPLIOEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-7(2)12-13-10-6-5-8(3)9(4)11(10)14-12/h5-7H,1-4H3.
What are the key properties of 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole?
6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 205.33 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 59800707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).