7-(2-methylpropyl)-1,2-benzothiazole

C11H13NS — CID 145003154

IUPAC7-(2-methylpropyl)-1,2-benzothiazole
SMILESCC(C)Cc1cccc2cnsc12
InChIInChI=1S/C11H13NS/c1-8(2)6-9-4-3-5-10-7-12-13-11(9)10/h3-5,7-8H,6H2,1-2H3
InChIKeyXHIWHVAQXYPRLO-UHFFFAOYSA-N
MW191.30 g/mol
LogP3.49
Rot. Bonds2

About 7-(2-methylpropyl)-1,2-benzothiazole

7-(2-methylpropyl)-1,2-benzothiazole (PubChem CID 145003154) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 7-(2-methylpropyl)-1,2-benzothiazole.

Molecular Properties

Compound Name7-(2-methylpropyl)-1,2-benzothiazole
PubChem CID145003154
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name7-(2-methylpropyl)-1,2-benzothiazole
SMILESCC(C)Cc1cccc2cnsc12
InChIInChI=1S/C11H13NS/c1-8(2)6-9-4-3-5-10-7-12-13-11(9)10/h3-5,7-8H,6H2,1-2H3
InChIKeyXHIWHVAQXYPRLO-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-1,2-benzothiazole?
The IUPAC name of 7-(2-methylpropyl)-1,2-benzothiazole (CID 145003154) is 7-(2-methylpropyl)-1,2-benzothiazole.
What is the SMILES notation for 7-(2-methylpropyl)-1,2-benzothiazole?
The canonical SMILES for 7-(2-methylpropyl)-1,2-benzothiazole is CC(C)Cc1cccc2cnsc12.
What is the InChIKey of 7-(2-methylpropyl)-1,2-benzothiazole?
The InChIKey is XHIWHVAQXYPRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c1-8(2)6-9-4-3-5-10-7-12-13-11(9)10/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-1,2-benzothiazole?
7-(2-methylpropyl)-1,2-benzothiazole has a molecular weight of 191.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-1,2-benzothiazole is sourced from PubChem (CID 145003154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).