4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one

C14H17ClF2N4O2S — CID 139295425

IUPAC4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(F)(F)Cl)CC3=O)c(C)nc2s1
InChIInChI=1S/C14H17ClF2N4O2S/c1-8-10(21-13(18-8)24-11(19-21)7-23-2)6-20-5-9(3-12(20)22)4-14(15,16)17/h9H,3-7H2,1-2H3
InChIKeySBMQRYWWGAKIOM-UHFFFAOYSA-N
MW378.83 g/mol
LogP2.82
Rot. Bonds6

About 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one

4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one (PubChem CID 139295425) has the molecular formula C14H17ClF2N4O2S and a molecular weight of 378.83 g/mol. Its IUPAC name is 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
PubChem CID139295425
Molecular FormulaC14H17ClF2N4O2S
Molecular Weight378.83 g/mol
Exact Mass378.07
IUPAC Name4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(F)(F)Cl)CC3=O)c(C)nc2s1
InChIInChI=1S/C14H17ClF2N4O2S/c1-8-10(21-13(18-8)24-11(19-21)7-23-2)6-20-5-9(3-12(20)22)4-14(15,16)17/h9H,3-7H2,1-2H3
InChIKeySBMQRYWWGAKIOM-UHFFFAOYSA-N
XLogP2.82
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]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
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
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
(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
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-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
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-3-one
CID 152517735
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
5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
CID 137407916
1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
CID 15952659
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 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) is 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one is COCc1nn2c(CN3CC(CC(F)(F)Cl)CC3=O)c(C)nc2s1.
What is the InChIKey of 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is SBMQRYWWGAKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O2S/c1-8-10(21-13(18-8)24-11(19-21)7-23-2)6-20-5-9(3-12(20)22)4-14(15,16)17/h9H,3-7H2,1-2H3.
What are the key properties of 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 378.83 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-2,2-difluoroethyl)-1-[[2-(methoxymethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 139295425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).