6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine

C14H10F2N2S — CID 79143900

IUPAC6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(F)cc(Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C14H10F2N2S/c1-8-4-10(16)6-11(5-8)17-14-18-12-3-2-9(15)7-13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyALGYJQZUIWOIOT-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.63
Rot. Bonds2

About 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine

6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79143900) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79143900
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(F)cc(Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C14H10F2N2S/c1-8-4-10(16)6-11(5-8)17-14-18-12-3-2-9(15)7-13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyALGYJQZUIWOIOT-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 79143632
1-N-(3-fluoro-5-methylphenyl)-1-N'-(6-methyl-1,3-benzothiazol-2-yl)ethene-1,1-diamine
CID 153362548
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine (CID 79143900) is 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine is Cc1cc(F)cc(Nc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is ALGYJQZUIWOIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c1-8-4-10(16)6-11(5-8)17-14-18-12-3-2-9(15)7-13(12)19-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 276.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).