2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole

C15H17F3N2S — CID 106977815

IUPAC2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESCCCC1(c2nc3cc(C(F)(F)F)ccc3s2)CCCN1
InChIInChI=1S/C15H17F3N2S/c1-2-6-14(7-3-8-19-14)13-20-11-9-10(15(16,17)18)4-5-12(11)21-13/h4-5,9,19H,2-3,6-8H2,1H3
InChIKeyLJTORDZKLFJFBX-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.69
Rot. Bonds3

About 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole

2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 106977815) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID106977815
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESCCCC1(c2nc3cc(C(F)(F)F)ccc3s2)CCCN1
InChIInChI=1S/C15H17F3N2S/c1-2-6-14(7-3-8-19-14)13-20-11-9-10(15(16,17)18)4-5-12(11)21-13/h4-5,9,19H,2-3,6-8H2,1H3
InChIKeyLJTORDZKLFJFBX-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(2-propylpyrrolidin-2-yl)-1,3-benzothiazole
CID 106977824
2-(3-ethylpyrrolidin-3-yl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 63144373
5-bromo-2-(3-propylpiperidin-3-yl)-1,3-benzothiazole
CID 55166649
2-propyl-2-[3-(trifluoromethyl)phenyl]azetidine
CID 115059013
2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
CID 106977720
3-(2-ethylpyrrolidin-2-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 83070733
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl formate
CID 174767325
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]butan-1-amine
CID 65220738
2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 62215876
S-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl] butanethioate
CID 57237231
N-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 43152023

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole (CID 106977815) is 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole is CCCC1(c2nc3cc(C(F)(F)F)ccc3s2)CCCN1.
What is the InChIKey of 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is LJTORDZKLFJFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-2-6-14(7-3-8-19-14)13-20-11-9-10(15(16,17)18)4-5-12(11)21-13/h4-5,9,19H,2-3,6-8H2,1H3.
What are the key properties of 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 314.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpyrrolidin-2-yl)-5-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 106977815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).