6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine

C8H3BrClF3N2S — CID 50882510

IUPAC6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1
InChIInChI=1S/C8H3BrClF3N2S/c9-2-1-3(10)5-6(16-7(14)15-5)4(2)8(11,12)13/h1H,(H2,14,15)
InChIKeyJFZRIWQWVRQZAP-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.31
Rot. Bonds

About 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine

6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 50882510) has the molecular formula C8H3BrClF3N2S and a molecular weight of 331.54 g/mol. Its IUPAC name is 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID50882510
Molecular FormulaC8H3BrClF3N2S
Molecular Weight331.54 g/mol
Exact Mass329.88
IUPAC Name6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1
InChIInChI=1S/C8H3BrClF3N2S/c9-2-1-3(10)5-6(16-7(14)15-5)4(2)8(11,12)13/h1H,(H2,14,15)
InChIKeyJFZRIWQWVRQZAP-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 50882510) is 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine is Nc1nc2c(Cl)cc(Br)c(C(F)(F)F)c2s1.
What is the InChIKey of 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is JFZRIWQWVRQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClF3N2S/c9-2-1-3(10)5-6(16-7(14)15-5)4(2)8(11,12)13/h1H,(H2,14,15).
What are the key properties of 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine?
6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 331.54 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-7-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 50882510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).