1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H16F6N4O2S — CID 52911797

IUPAC1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOCCc1nn2c(CN3CC(CC(F)(F)F)CC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H16F6N4O2S/c1-27-3-2-10-23-25-9(12(15(19,20)21)22-13(25)28-10)7-24-6-8(4-11(24)26)5-14(16,17)18/h8H,2-7H2,1H3
InChIKeyMGLZIFNNAVCIGT-UHFFFAOYSA-N
MW430.37 g/mol
LogP3.30
Rot. Bonds6

About 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one

1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 52911797) has the molecular formula C15H16F6N4O2S and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID52911797
Molecular FormulaC15H16F6N4O2S
Molecular Weight430.37 g/mol
Exact Mass430.09
IUPAC Name1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOCCc1nn2c(CN3CC(CC(F)(F)F)CC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H16F6N4O2S/c1-27-3-2-10-23-25-9(12(15(19,20)21)22-13(25)28-10)7-24-6-8(4-11(24)26)5-14(16,17)18/h8H,2-7H2,1H3
InChIKeyMGLZIFNNAVCIGT-UHFFFAOYSA-N
XLogP3.30
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Padsevonil
CID 52911611
(4S)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 52911670
(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)-7H-imidazo[2,1-b][1,3,4]thiadiazol-4-ium-5-yl]methyl]pyrrolidin-2-one
CID 171390613
(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one
CID 172053292
(4S)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)-7H-imidazo[2,1-b][1,3,4]thiadiazol-4-ium-5-yl]methyl]-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
CID 176515332
4-(2,2-Difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911554
4-(2-Chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 52911555
4-(2-Chloro-2,2-difluoroethyl)-1-{[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}pyrrolidin-2-one
CID 52911556
(S)-Padsevonil
CID 52911557
4-(2-Chloro-2,2-difluoroethyl)-1-{[2-(hydroxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}pyrrolidin-2-one
CID 52911612
(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(hydroxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911613
(4S)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(hydroxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911614

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 52911797) is 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is COCCc1nn2c(CN3CC(CC(F)(F)F)CC3=O)c(C(F)(F)F)nc2s1.
What is the InChIKey of 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is MGLZIFNNAVCIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N4O2S/c1-27-3-2-10-23-25-9(12(15(19,20)21)22-13(25)28-10)7-24-6-8(4-11(24)26)5-14(16,17)18/h8H,2-7H2,1H3.
What are the key properties of 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 430.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 52911797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).