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

C14H17FN2S — CID 79143491

IUPACN-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3ccc(F)cc3s2)C1C
InChIInChI=1S/C14H17FN2S/c1-8-3-5-11(9(8)2)16-14-17-12-6-4-10(15)7-13(12)18-14/h4,6-9,11H,3,5H2,1-2H3,(H,16,17)
InChIKeyRYGQKZXEAVNIIJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.28
Rot. Bonds2

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

N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79143491) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79143491
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3ccc(F)cc3s2)C1C
InChIInChI=1S/C14H17FN2S/c1-8-3-5-11(9(8)2)16-14-17-12-6-4-10(15)7-13(12)18-14/h4,6-9,11H,3,5H2,1-2H3,(H,16,17)
InChIKeyRYGQKZXEAVNIIJ-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 79143491) is N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine is CC1CCC(Nc2nc3ccc(F)cc3s2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is RYGQKZXEAVNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-8-3-5-11(9(8)2)16-14-17-12-6-4-10(15)7-13(12)18-14/h4,6-9,11H,3,5H2,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 264.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).