[5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone

C16H18F2N6O3S — CID 175784325

IUPAC[5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC2CC1CN2c1ncc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C16H18F2N6O3S/c17-12(18)14-21-20-13(27-14)11-6-19-15(28-11)23-7-10-5-9(23)8-24(10)16(25)22-1-3-26-4-2-22/h6,9-10,12H,1-5,7-8H2
InChIKeyWHYVTDOLBOAVMI-UHFFFAOYSA-N
MW412.42 g/mol
LogP1.85
Rot. Bonds3

About [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone

[5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone (PubChem CID 175784325) has the molecular formula C16H18F2N6O3S and a molecular weight of 412.42 g/mol. Its IUPAC name is [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone
PubChem CID175784325
Molecular FormulaC16H18F2N6O3S
Molecular Weight412.42 g/mol
Exact Mass412.11
IUPAC Name[5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC2CC1CN2c1ncc(-c2nnc(C(F)F)o2)s1
InChIInChI=1S/C16H18F2N6O3S/c17-12(18)14-21-20-13(27-14)11-6-19-15(28-11)23-7-10-5-9(23)8-24(10)16(25)22-1-3-26-4-2-22/h6,9-10,12H,1-5,7-8H2
InChIKeyWHYVTDOLBOAVMI-UHFFFAOYSA-N
XLogP1.85
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone (CID 175784325) is [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC2CC1CN2c1ncc(-c2nnc(C(F)F)o2)s1.
What is the InChIKey of [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WHYVTDOLBOAVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O3S/c17-12(18)14-21-20-13(27-14)11-6-19-15(28-11)23-7-10-5-9(23)8-24(10)16(25)22-1-3-26-4-2-22/h6,9-10,12H,1-5,7-8H2.
What are the key properties of [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone?
[5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 412.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 175784325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).