5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine

C15H12F2N2S — CID 43566520

IUPAC5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESFc1cccc(CCNc2nc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H12F2N2S/c16-11-3-1-2-10(8-11)6-7-18-15-19-13-9-12(17)4-5-14(13)20-15/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyQQWINNOITNQKKO-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.23
Rot. Bonds4

About 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine

5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 43566520) has the molecular formula C15H12F2N2S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID43566520
Molecular FormulaC15H12F2N2S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
SMILESFc1cccc(CCNc2nc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H12F2N2S/c16-11-3-1-2-10(8-11)6-7-18-15-19-13-9-12(17)4-5-14(13)20-15/h1-5,8-9H,6-7H2,(H,18,19)
InChIKeyQQWINNOITNQKKO-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419895
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306953
6-bromo-N-[(3-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79533816
2-N-[2-(3,5-difluorophenyl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 63231503
N-[(3-bromophenyl)methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79143800
N-[2-(3,5-difluorophenyl)ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 79130673
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine (CID 43566520) is 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine is Fc1cccc(CCNc2nc3cc(F)ccc3s2)c1.
What is the InChIKey of 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is QQWINNOITNQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2S/c16-11-3-1-2-10(8-11)6-7-18-15-19-13-9-12(17)4-5-14(13)20-15/h1-5,8-9H,6-7H2,(H,18,19).
What are the key properties of 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine?
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 290.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43566520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).