N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine

C12H16N2S — CID 71046918

IUPACN-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine
SMILESCCC(C)(C)Nc1ccc2sncc2c1
InChIInChI=1S/C12H16N2S/c1-4-12(2,3)14-10-5-6-11-9(7-10)8-13-15-11/h5-8,14H,4H2,1-3H3
InChIKeyVTTDMSIWVQVGET-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.90
Rot. Bonds3

About N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine

N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine (PubChem CID 71046918) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine
PubChem CID71046918
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine
SMILESCCC(C)(C)Nc1ccc2sncc2c1
InChIInChI=1S/C12H16N2S/c1-4-12(2,3)14-10-5-6-11-9(7-10)8-13-15-11/h5-8,14H,4H2,1-3H3
InChIKeyVTTDMSIWVQVGET-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine (CID 71046918) is N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine is CCC(C)(C)Nc1ccc2sncc2c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine?
The InChIKey is VTTDMSIWVQVGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-12(2,3)14-10-5-6-11-9(7-10)8-13-15-11/h5-8,14H,4H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine?
N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine has a molecular weight of 220.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1,2-benzothiazol-5-amine is sourced from PubChem (CID 71046918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).