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

C13H17FN2S — CID 79144067

IUPACN-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCC(C)C(C)CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C13H17FN2S/c1-8(2)9(3)7-15-13-16-11-5-4-10(14)6-12(11)17-13/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyCYDYSKYJCADARB-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.14
Rot. Bonds4

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

N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79144067) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79144067
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC NameN-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCC(C)C(C)CNc1nc2ccc(F)cc2s1
InChIInChI=1S/C13H17FN2S/c1-8(2)9(3)7-15-13-16-11-5-4-10(14)6-12(11)17-13/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyCYDYSKYJCADARB-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64596986
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
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
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
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-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 81177516
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 79144067) is N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine is CC(C)C(C)CNc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is CYDYSKYJCADARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-8(2)9(3)7-15-13-16-11-5-4-10(14)6-12(11)17-13/h4-6,8-9H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79144067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).