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

C15H13FN2S — CID 79143552

IUPACN-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCc1cccc(C)c1Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H13FN2S/c1-9-4-3-5-10(2)14(9)18-15-17-12-7-6-11(16)8-13(12)19-15/h3-8H,1-2H3,(H,17,18)
InChIKeyNEFKHIXFBCILJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.80
Rot. Bonds2

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

N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79143552) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79143552
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC NameN-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCc1cccc(C)c1Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H13FN2S/c1-9-4-3-5-10(2)14(9)18-15-17-12-7-6-11(16)8-13(12)19-15/h3-8H,1-2H3,(H,17,18)
InChIKeyNEFKHIXFBCILJU-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109952
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109940
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011
3-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 107107696
6-chloro-N-(2-ethyl-6-methylphenyl)-1,3-benzothiazol-2-amine
CID 79527732
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-3-methylbenzonitrile
CID 107106288
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 79143552) is N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine is Cc1cccc(C)c1Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is NEFKHIXFBCILJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-9-4-3-5-10(2)14(9)18-15-17-12-7-6-11(16)8-13(12)19-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).