1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one

C14H12F3N7OS — CID 66748686

IUPAC1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one
SMILESNc1ncc(-c2cnc3sc(N4CCCNC4=O)nn23)cc1C(F)(F)F
InChIInChI=1S/C14H12F3N7OS/c15-14(16,17)8-4-7(5-20-10(8)18)9-6-21-12-24(9)22-13(26-12)23-3-1-2-19-11(23)25/h4-6H,1-3H2,(H2,18,20)(H,19,25)
InChIKeyDRPVWLFTKDUDJN-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.37
Rot. Bonds2

About 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one

1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one (PubChem CID 66748686) has the molecular formula C14H12F3N7OS and a molecular weight of 383.36 g/mol. Its IUPAC name is 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one
PubChem CID66748686
Molecular FormulaC14H12F3N7OS
Molecular Weight383.36 g/mol
Exact Mass383.08
IUPAC Name1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one
SMILESNc1ncc(-c2cnc3sc(N4CCCNC4=O)nn23)cc1C(F)(F)F
InChIInChI=1S/C14H12F3N7OS/c15-14(16,17)8-4-7(5-20-10(8)18)9-6-21-12-24(9)22-13(26-12)23-3-1-2-19-11(23)25/h4-6H,1-3H2,(H2,18,20)(H,19,25)
InChIKeyDRPVWLFTKDUDJN-UHFFFAOYSA-N
XLogP2.37
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one (CID 66748686) is 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one is Nc1ncc(-c2cnc3sc(N4CCCNC4=O)nn23)cc1C(F)(F)F.
What is the InChIKey of 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one?
The InChIKey is DRPVWLFTKDUDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7OS/c15-14(16,17)8-4-7(5-20-10(8)18)9-6-21-12-24(9)22-13(26-12)23-3-1-2-19-11(23)25/h4-6H,1-3H2,(H2,18,20)(H,19,25).
What are the key properties of 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one?
1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one has a molecular weight of 383.36 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 66748686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).