5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine

C12H15FN2S2 — CID 63958238

IUPAC5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
SMILESCSCC(C)CNc1nc2cc(F)ccc2s1
InChIInChI=1S/C12H15FN2S2/c1-8(7-16-2)6-14-12-15-10-5-9(13)3-4-11(10)17-12/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyKOTQCLWPROAHPT-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.85
Rot. Bonds5

About 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine

5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine (PubChem CID 63958238) has the molecular formula C12H15FN2S2 and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
PubChem CID63958238
Molecular FormulaC12H15FN2S2
Molecular Weight270.40 g/mol
Exact Mass270.07
IUPAC Name5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
SMILESCSCC(C)CNc1nc2cc(F)ccc2s1
InChIInChI=1S/C12H15FN2S2/c1-8(7-16-2)6-14-12-15-10-5-9(13)3-4-11(10)17-12/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyKOTQCLWPROAHPT-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142263
5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 113494981
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 114101101
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
2-N-(5-fluoro-1,3-benzothiazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61478242
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine (CID 63958238) is 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine is CSCC(C)CNc1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
The InChIKey is KOTQCLWPROAHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S2/c1-8(7-16-2)6-14-12-15-10-5-9(13)3-4-11(10)17-12/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63958238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).