N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C15H17F3N2S — CID 64922635

IUPACN-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)C1C
InChIInChI=1S/C15H17F3N2S/c1-8-3-5-11(9(8)2)19-14-20-12-7-10(15(16,17)18)4-6-13(12)21-14/h4,6-9,11H,3,5H2,1-2H3,(H,19,20)
InChIKeyFCIHWRXHZPYQGF-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.16
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 64922635) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID64922635
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)C1C
InChIInChI=1S/C15H17F3N2S/c1-8-3-5-11(9(8)2)19-14-20-12-7-10(15(16,17)18)4-6-13(12)21-14/h4,6-9,11H,3,5H2,1-2H3,(H,19,20)
InChIKeyFCIHWRXHZPYQGF-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.16
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)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 64922635) is N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is CC1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is FCIHWRXHZPYQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-8-3-5-11(9(8)2)19-14-20-12-7-10(15(16,17)18)4-6-13(12)21-14/h4,6-9,11H,3,5H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 314.38 g/mol, XLogP of 5.16, 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)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 64922635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).