4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C20H24F3N3S — CID 56574565

IUPAC4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2nc(CN3CCCC3CN3CCCC3)cs2)cc1
InChIInChI=1S/C20H24F3N3S/c21-20(22,23)16-7-5-15(6-8-16)19-24-17(14-27-19)12-26-11-3-4-18(26)13-25-9-1-2-10-25/h5-8,14,18H,1-4,9-13H2
InChIKeyLZTFDYVAIYRMBB-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.89
Rot. Bonds5

About 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 56574565) has the molecular formula C20H24F3N3S and a molecular weight of 395.49 g/mol. Its IUPAC name is 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID56574565
Molecular FormulaC20H24F3N3S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2nc(CN3CCCC3CN3CCCC3)cs2)cc1
InChIInChI=1S/C20H24F3N3S/c21-20(22,23)16-7-5-15(6-8-16)19-24-17(14-27-19)12-26-11-3-4-18(26)13-25-9-1-2-10-25/h5-8,14,18H,1-4,9-13H2
InChIKeyLZTFDYVAIYRMBB-UHFFFAOYSA-N
XLogP4.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228
[1-[[1-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753130
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 135091194
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
2-[(2R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-2-ol
CID 99576883
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 56574565) is 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2nc(CN3CCCC3CN3CCCC3)cs2)cc1.
What is the InChIKey of 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is LZTFDYVAIYRMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3S/c21-20(22,23)16-7-5-15(6-8-16)19-24-17(14-27-19)12-26-11-3-4-18(26)13-25-9-1-2-10-25/h5-8,14,18H,1-4,9-13H2.
What are the key properties of 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 395.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 56574565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).