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

C13H15FN2S — CID 113479111

IUPACN-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCCC3CCC3)sc2c1
InChIInChI=1S/C13H15FN2S/c14-10-4-5-11-12(8-10)17-13(16-11)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyKBXNSZYGAVSTKR-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.04
Rot. Bonds4

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

N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 113479111) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID113479111
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCCC3CCC3)sc2c1
InChIInChI=1S/C13H15FN2S/c14-10-4-5-11-12(8-10)17-13(16-11)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,15,16)
InChIKeyKBXNSZYGAVSTKR-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114131519
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 114515038
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 113479111) is N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCCC3CCC3)sc2c1.
What is the InChIKey of N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is KBXNSZYGAVSTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c14-10-4-5-11-12(8-10)17-13(16-11)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,15,16).
What are the key properties of N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 250.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113479111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).