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

C14H14F6N4O2S — CID 52911615

IUPAC1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(F)(F)F)CC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C14H14F6N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3
InChIKeyUBNLUHSOVONECH-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.26
Rot. Bonds5

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

1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 52911615) has the molecular formula C14H14F6N4O2S and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-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-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID52911615
Molecular FormulaC14H14F6N4O2S
Molecular Weight416.35 g/mol
Exact Mass416.07
IUPAC Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(F)(F)F)CC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C14H14F6N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3
InChIKeyUBNLUHSOVONECH-UHFFFAOYSA-N
XLogP3.26
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-(trideuteriomethoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911732
4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 139295425
(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
4-(2-chloro-2,2-difluoroethyl)-1-[[6-chloro-2-(2,2,2-trifluoroethoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
CID 52911734
1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 66571666
4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-3-one;2,2,2-trifluoroacetic acid
CID 118588628
(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-[dideuterio(methoxy)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one;2-[dideuterio(methoxy)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole;dideuterio-[6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanol;ethyl 6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
CID 162242887
1-(chloromethyl)-4-(2,2-difluoropropyl)pyrrolidin-2-one;4-(2,2-difluoropropyl)-1-(hydroxymethyl)pyrrolidin-2-one;tris(4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one);diiodomethane;iodoform;methane;2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole;molecular iodine
CID 158046659
(4R)-4-(2-chloro-2,2-difluoroethyl)-1-[[2-[dideuterio(methoxy)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-3-one
CID 152517735
1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
CID 15952659
1-[[5-chloro-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one
CID 70980119
4-(2,2-difluoroethyl)-1-[[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrrolidin-2-one
CID 15951703

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)-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-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 52911615) is 1-[[2-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is COCc1nn2c(CN3CC(CC(F)(F)F)CC3=O)c(C(F)(F)F)nc2s1.
What is the InChIKey of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is UBNLUHSOVONECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N4O2S/c1-26-6-9-22-24-8(11(14(18,19)20)21-12(24)27-9)5-23-4-7(2-10(23)25)3-13(15,16)17/h7H,2-6H2,1H3.
What are the key properties of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
1-[[2-(methoxymethyl)-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 416.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)-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 52911615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).