2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride

C10H10ClF3N2S — CID 155821832

IUPAC2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
SMILESCl.NCCc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H9F3N2S.ClH/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14;/h1-2,5H,3-4,14H2;1H
InChIKeyOCWVVZFUEXVJPW-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.24
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride

2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride (PubChem CID 155821832) has the molecular formula C10H10ClF3N2S and a molecular weight of 282.72 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
PubChem CID155821832
Molecular FormulaC10H10ClF3N2S
Molecular Weight282.72 g/mol
Exact Mass282.02
IUPAC Name2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
SMILESCl.NCCc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C10H9F3N2S.ClH/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14;/h1-2,5H,3-4,14H2;1H
InChIKeyOCWVVZFUEXVJPW-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride (CID 155821832) is 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride is Cl.NCCc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is OCWVVZFUEXVJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2S.ClH/c11-10(12,13)6-1-2-8-7(5-6)15-9(16-8)3-4-14;/h1-2,5H,3-4,14H2;1H.
What are the key properties of 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride?
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 282.72 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 155821832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).