N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine

C14H18FN3S — CID 105419340

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine
SMILESCN(C)C1(CNc2nc3ccc(F)cc3s2)CCC1
InChIInChI=1S/C14H18FN3S/c1-18(2)14(6-3-7-14)9-16-13-17-11-5-4-10(15)8-12(11)19-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyRHOFVMLLODWUPG-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.33
Rot. Bonds4

About N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 105419340) has the molecular formula C14H18FN3S and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID105419340
Molecular FormulaC14H18FN3S
Molecular Weight279.38 g/mol
Exact Mass279.12
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine
SMILESCN(C)C1(CNc2nc3ccc(F)cc3s2)CCC1
InChIInChI=1S/C14H18FN3S/c1-18(2)14(6-3-7-14)9-16-13-17-11-5-4-10(15)8-12(11)19-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyRHOFVMLLODWUPG-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 114119928
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
N-(6-fluoro-1,3-benzothiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79144623
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 113491209
6-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143401
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine (CID 105419340) is N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine is CN(C)C1(CNc2nc3ccc(F)cc3s2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is RHOFVMLLODWUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3S/c1-18(2)14(6-3-7-14)9-16-13-17-11-5-4-10(15)8-12(11)19-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 279.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 105419340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).