2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole

C17H20F3N3S — CID 133318192

IUPAC2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2sc(N3CCC(N4CCCC4)CC3)nc2c1
InChIInChI=1S/C17H20F3N3S/c18-17(19,20)12-3-4-15-14(11-12)21-16(24-15)23-9-5-13(6-10-23)22-7-1-2-8-22/h3-4,11,13H,1-2,5-10H2
InChIKeyVFVKFNRGFWEVRC-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.38
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole

2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 133318192) has the molecular formula C17H20F3N3S and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID133318192
Molecular FormulaC17H20F3N3S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2sc(N3CCC(N4CCCC4)CC3)nc2c1
InChIInChI=1S/C17H20F3N3S/c18-17(19,20)12-3-4-15-14(11-12)21-16(24-15)23-9-5-13(6-10-23)22-7-1-2-8-22/h3-4,11,13H,1-2,5-10H2
InChIKeyVFVKFNRGFWEVRC-UHFFFAOYSA-N
XLogP4.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
CID 71996631
2-[4-(methoxymethyl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133342919
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320724
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
N-methyl-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-3-carboxamide
CID 133321824
methyl 2-hydroxy-2-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetate
CID 133398933
N-(5-methyl-2-pyridinyl)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 133318977
4-ethyl-3-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]-1H-1,2,4-triazole-5-thione
CID 133321439
cyclopropyl-[4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholin-2-yl]methanone
CID 86797984
6-(2-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 46245061
2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320302
5-[(3S)-1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 100758069

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole (CID 133318192) is 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1ccc2sc(N3CCC(N4CCCC4)CC3)nc2c1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is VFVKFNRGFWEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3S/c18-17(19,20)12-3-4-15-14(11-12)21-16(24-15)23-9-5-13(6-10-23)22-7-1-2-8-22/h3-4,11,13H,1-2,5-10H2.
What are the key properties of 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 355.43 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 133318192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).