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

C12H15FN2S — CID 79143974

IUPAC6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
SMILESCCC(C)CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H15FN2S/c1-3-8(2)7-14-12-15-10-5-4-9(13)6-11(10)16-12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyDCWVERYBZOTGAO-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.89
Rot. Bonds4

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

6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine (PubChem CID 79143974) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
PubChem CID79143974
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
SMILESCCC(C)CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C12H15FN2S/c1-3-8(2)7-14-12-15-10-5-4-9(13)6-11(10)16-12/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyDCWVERYBZOTGAO-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
N-(2-methylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63547160
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
6-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142263
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine (CID 79143974) is 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine is CCC(C)CNc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine?
The InChIKey is DCWVERYBZOTGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c1-3-8(2)7-14-12-15-10-5-4-9(13)6-11(10)16-12/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).