6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

C13H8F3N3S — CID 122184474

IUPAC6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccc(C(F)(F)F)nc3)cc2s1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)11-4-2-8(6-18-11)7-1-3-9-10(5-7)20-12(17)19-9/h1-6H,(H2,17,19)
InChIKeyBSYWDYTZASYESB-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.96
Rot. Bonds1

About 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 122184474) has the molecular formula C13H8F3N3S and a molecular weight of 295.29 g/mol. Its IUPAC name is 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID122184474
Molecular FormulaC13H8F3N3S
Molecular Weight295.29 g/mol
Exact Mass295.04
IUPAC Name6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ccc(C(F)(F)F)nc3)cc2s1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)11-4-2-8(6-18-11)7-1-3-9-10(5-7)20-12(17)19-9/h1-6H,(H2,17,19)
InChIKeyBSYWDYTZASYESB-UHFFFAOYSA-N
XLogP3.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
6-Isopropyl-benzothiazol-2-ylamine
CID 600983
N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 9566818
2-Amino-6-(trifluoromethyl)benzothiazole
CID 2735955
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
Benzyl-(6-methyl-benzothiazol-2-yl)-amine
CID 2363758
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 5458748
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
4-(2-pyridyl)-N-[4-(trifluoromethyl)phenyl]thiazol-2-amine
CID 4527770
6-Phenylbenzo[d]thiazol-2-amine
CID 5109813

Frequently Asked Questions

What is the IUPAC name of 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 122184474) is 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3ccc(C(F)(F)F)nc3)cc2s1.
What is the InChIKey of 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is BSYWDYTZASYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3S/c14-13(15,16)11-4-2-8(6-18-11)7-1-3-9-10(5-7)20-12(17)19-9/h1-6H,(H2,17,19).
What are the key properties of 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 295.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).