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

C14H15F6N5O2S — CID 66571668

IUPAC1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one
SMILESCOCc1nn2c(CN3CC(CCC(F)(F)F)NC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C14H15F6N5O2S/c1-27-6-9-23-25-8(10(14(18,19)20)22-12(25)28-9)5-24-4-7(21-11(24)26)2-3-13(15,16)17/h7H,2-6H2,1H3,(H,21,26)
InChIKeyTZBTXTYCDRHKNC-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.19
Rot. Bonds6

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

1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one (PubChem CID 66571668) has the molecular formula C14H15F6N5O2S and a molecular weight of 431.36 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one
PubChem CID66571668
Molecular FormulaC14H15F6N5O2S
Molecular Weight431.36 g/mol
Exact Mass431.09
IUPAC Name1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one
SMILESCOCc1nn2c(CN3CC(CCC(F)(F)F)NC3=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C14H15F6N5O2S/c1-27-6-9-23-25-8(10(14(18,19)20)22-12(25)28-9)5-24-4-7(21-11(24)26)2-3-13(15,16)17/h7H,2-6H2,1H3,(H,21,26)
InChIKeyTZBTXTYCDRHKNC-UHFFFAOYSA-N
XLogP3.19
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(3,3,3-trifluoropropyl)imidazolidin-2-one?
The IUPAC name of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one (CID 66571668) is 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-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-(3,3,3-trifluoropropyl)imidazolidin-2-one?
The canonical SMILES for 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one is COCc1nn2c(CN3CC(CCC(F)(F)F)NC3=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-(3,3,3-trifluoropropyl)imidazolidin-2-one?
The InChIKey is TZBTXTYCDRHKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N5O2S/c1-27-6-9-23-25-8(10(14(18,19)20)22-12(25)28-9)5-24-4-7(21-11(24)26)2-3-13(15,16)17/h7H,2-6H2,1H3,(H,21,26).
What are the key properties of 1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one?
1-[[2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl]-4-(3,3,3-trifluoropropyl)imidazolidin-2-one has a molecular weight of 431.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 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-(3,3,3-trifluoropropyl)imidazolidin-2-one is sourced from PubChem (CID 66571668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).