1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one

C16H15F3N6O2S — CID 67221021

IUPAC1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1
InChIInChI=1S/C16H15F3N6O2S/c17-16(18,19)27-11-3-1-2-10(8-11)12-9-25-15(22-12)28-13(23-25)20-4-6-24-7-5-21-14(24)26/h1-3,8-9H,4-7H2,(H,20,23)(H,21,26)
InChIKeyNPTOIOBKFLOYSA-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 67221021) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID67221021
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC Name1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1
InChIInChI=1S/C16H15F3N6O2S/c17-16(18,19)27-11-3-1-2-10(8-11)12-9-25-15(22-12)28-13(23-25)20-4-6-24-7-5-21-14(24)26/h1-3,8-9H,4-7H2,(H,20,23)(H,21,26)
InChIKeyNPTOIOBKFLOYSA-UHFFFAOYSA-N
XLogP2.79
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one (CID 67221021) is 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1nn2cc(-c3cccc(OC(F)(F)F)c3)nc2s1.
What is the InChIKey of 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is NPTOIOBKFLOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c17-16(18,19)27-11-3-1-2-10(8-11)12-9-25-15(22-12)28-13(23-25)20-4-6-24-7-5-21-14(24)26/h1-3,8-9H,4-7H2,(H,20,23)(H,21,26).
What are the key properties of 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 412.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 67221021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).