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

C14H17FN2S — CID 79144535

IUPACN-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCCC3CCCC3)sc2c1
InChIInChI=1S/C14H17FN2S/c15-11-5-6-12-13(9-11)18-14(17-12)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,16,17)
InChIKeyJGNAIWLSEFJDKM-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.43
Rot. Bonds4

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

N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79144535) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79144535
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(NCCC3CCCC3)sc2c1
InChIInChI=1S/C14H17FN2S/c15-11-5-6-12-13(9-11)18-14(17-12)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,16,17)
InChIKeyJGNAIWLSEFJDKM-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
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
5-chloro-N-(2-cyclohexylethyl)-1,3-benzothiazol-2-amine
CID 63545700
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
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
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 79144535) is N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2nc(NCCC3CCCC3)sc2c1.
What is the InChIKey of N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is JGNAIWLSEFJDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c15-11-5-6-12-13(9-11)18-14(17-12)16-8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,16,17).
What are the key properties of N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 264.37 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79144535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).