N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine

C12H16N2S — CID 63372825

IUPACN-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine
SMILESCC(C)(C)CNc1snc2ccccc12
InChIInChI=1S/C12H16N2S/c1-12(2,3)8-13-11-9-6-4-5-7-10(9)14-15-11/h4-7,13H,8H2,1-3H3
InChIKeyYBZNGVKQYHKYRN-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.75
Rot. Bonds2

About N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine

N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine (PubChem CID 63372825) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine
PubChem CID63372825
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine
SMILESCC(C)(C)CNc1snc2ccccc12
InChIInChI=1S/C12H16N2S/c1-12(2,3)8-13-11-9-6-4-5-7-10(9)14-15-11/h4-7,13H,8H2,1-3H3
InChIKeyYBZNGVKQYHKYRN-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine (CID 63372825) is N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine is CC(C)(C)CNc1snc2ccccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine?
The InChIKey is YBZNGVKQYHKYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-12(2,3)8-13-11-9-6-4-5-7-10(9)14-15-11/h4-7,13H,8H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine?
N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine has a molecular weight of 220.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 63372825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).