5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine

C13H15FN2S2 — CID 114124199

IUPAC5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCSC1CCC(Nc2nc3cc(F)ccc3s2)C1
InChIInChI=1S/C13H15FN2S2/c1-17-10-4-3-9(7-10)15-13-16-11-6-8(14)2-5-12(11)18-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,16)
InChIKeyOQZUZENZWCVGJZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.13
Rot. Bonds3

About 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine

5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine (PubChem CID 114124199) has the molecular formula C13H15FN2S2 and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
PubChem CID114124199
Molecular FormulaC13H15FN2S2
Molecular Weight282.41 g/mol
Exact Mass282.07
IUPAC Name5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCSC1CCC(Nc2nc3cc(F)ccc3s2)C1
InChIInChI=1S/C13H15FN2S2/c1-17-10-4-3-9(7-10)15-13-16-11-6-8(14)2-5-12(11)18-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,16)
InChIKeyOQZUZENZWCVGJZ-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124197
N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 103704136
5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine
CID 103063774
5-fluoro-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
CID 82729076
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 114241173
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 114138547
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 113494981
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine (CID 114124199) is 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine is CSC1CCC(Nc2nc3cc(F)ccc3s2)C1.
What is the InChIKey of 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
The InChIKey is OQZUZENZWCVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S2/c1-17-10-4-3-9(7-10)15-13-16-11-6-8(14)2-5-12(11)18-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114124199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).