5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

C14H8F4N2S — CID 43306595

IUPAC5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C14H8F4N2S/c15-9-4-5-12-11(7-9)20-13(21-12)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H,19,20)
InChIKeyBDMIPUBTZCYJIC-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.20
Rot. Bonds2

About 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (PubChem CID 43306595) has the molecular formula C14H8F4N2S and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
PubChem CID43306595
Molecular FormulaC14H8F4N2S
Molecular Weight312.29 g/mol
Exact Mass312.03
IUPAC Name5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(Nc3cccc(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C14H8F4N2S/c15-9-4-5-12-11(7-9)20-13(21-12)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H,19,20)
InChIKeyBDMIPUBTZCYJIC-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306953
3-[(5-fluoro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 43306836
N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247454
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306395
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (CID 43306595) is 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is Fc1ccc2sc(Nc3cccc(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is BDMIPUBTZCYJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2S/c15-9-4-5-12-11(7-9)20-13(21-12)19-10-3-1-2-8(6-10)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 312.29 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).