5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one

C14H19F2N5O2S — CID 137407916

IUPAC5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
SMILES[2H]C1([2H])C(CCC)NC(=O)N1Cc1c(C(F)F)nc2sc(COC)nn12
InChIInChI=1S/C14H19F2N5O2S/c1-3-4-8-5-20(13(22)17-8)6-9-11(12(15)16)18-14-21(9)19-10(24-14)7-23-2/h8,12H,3-7H2,1-2H3,(H,17,22)/i5D2
InChIKeyWOIZZMAAKLGIEG-BFWBPSQCSA-N
MW361.41 g/mol
LogP2.57
Rot. Bonds7

About 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one

5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one (PubChem CID 137407916) has the molecular formula C14H19F2N5O2S and a molecular weight of 361.41 g/mol. Its IUPAC name is 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
PubChem CID137407916
Molecular FormulaC14H19F2N5O2S
Molecular Weight361.41 g/mol
Exact Mass361.14
IUPAC Name5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one
SMILES[2H]C1([2H])C(CCC)NC(=O)N1Cc1c(C(F)F)nc2sc(COC)nn12
InChIInChI=1S/C14H19F2N5O2S/c1-3-4-8-5-20(13(22)17-8)6-9-11(12(15)16)18-14-21(9)19-10(24-14)7-23-2/h8,12H,3-7H2,1-2H3,(H,17,22)/i5D2
InChIKeyWOIZZMAAKLGIEG-BFWBPSQCSA-N
XLogP2.57
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
The IUPAC name of 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) is 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one.
What is the SMILES notation for 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
The canonical SMILES for 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one is [2H]C1([2H])C(CCC)NC(=O)N1Cc1c(C(F)F)nc2sc(COC)nn12.
What is the InChIKey of 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
The InChIKey is WOIZZMAAKLGIEG-BFWBPSQCSA-N. The full InChI is InChI=1S/C14H19F2N5O2S/c1-3-4-8-5-20(13(22)17-8)6-9-11(12(15)16)18-14-21(9)19-10(24-14)7-23-2/h8,12H,3-7H2,1-2H3,(H,17,22)/i5D2.
What are the key properties of 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one?
5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one has a molecular weight of 361.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dideuterio-1-[[6-(difluoromethyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-propylimidazolidin-2-one is sourced from PubChem (CID 137407916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).