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

C15H17F5N4O2S — CID 52911554

IUPAC4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H17F5N4O2S/c1-14(16,17)4-8-3-11(25)23(5-8)6-9-12(15(18,19)20)21-13-24(9)22-10(27-13)7-26-2/h8H,3-7H2,1-2H3
InChIKeyJFQYRPAACGKFAB-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.35
Rot. Bonds6

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

4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one (PubChem CID 52911554) has the molecular formula C15H17F5N4O2S and a molecular weight of 412.38 g/mol. Its IUPAC name is 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
PubChem CID52911554
Molecular FormulaC15H17F5N4O2S
Molecular Weight412.38 g/mol
Exact Mass412.10
IUPAC Name4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one
SMILESCOCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C15H17F5N4O2S/c1-14(16,17)4-8-3-11(25)23(5-8)6-9-12(15(18,19)20)21-13-24(9)22-10(27-13)7-26-2/h8H,3-7H2,1-2H3
InChIKeyJFQYRPAACGKFAB-UHFFFAOYSA-N
XLogP3.35
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

CID 52911611
CID 52911611
CID 52911670
CID 52911670
CID 171390613
CID 171390613
CID 172053292
CID 172053292
CID 176515332
CID 176515332
CID 52911555
CID 52911555
CID 52911556
CID 52911556
CID 52911557
CID 52911557
CID 52911612
CID 52911612
CID 52911613
CID 52911613
CID 52911614
CID 52911614
CID 52911615
CID 52911615

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 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) is 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one is COCc1nn2c(CN3CC(CC(C)(F)F)CC3=O)c(C(F)(F)F)nc2s1.
What is the InChIKey of 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
The InChIKey is JFQYRPAACGKFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5N4O2S/c1-14(16,17)4-8-3-11(25)23(5-8)6-9-12(15(18,19)20)21-13-24(9)22-10(27-13)7-26-2/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one?
4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one has a molecular weight of 412.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropyl)-1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 52911554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).