[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone

C16H18F2N6O3S — CID 175784239

IUPAC[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1C2CC1CN(c1ncc(-c3nnc(C(F)F)o3)s1)C2
InChIInChI=1S/C16H18F2N6O3S/c17-12(18)14-21-20-13(27-14)11-6-19-15(28-11)23-7-9-5-10(8-23)24(9)16(25)22-1-3-26-4-2-22/h6,9-10,12H,1-5,7-8H2
InChIKeyBYKLVDYISPIPHA-UHFFFAOYSA-N
MW412.42 g/mol
LogP1.85
Rot. Bonds3

About [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone

[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone (PubChem CID 175784239) has the molecular formula C16H18F2N6O3S and a molecular weight of 412.42 g/mol. Its IUPAC name is [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone
PubChem CID175784239
Molecular FormulaC16H18F2N6O3S
Molecular Weight412.42 g/mol
Exact Mass412.11
IUPAC Name[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1C2CC1CN(c1ncc(-c3nnc(C(F)F)o3)s1)C2
InChIInChI=1S/C16H18F2N6O3S/c17-12(18)14-21-20-13(27-14)11-6-19-15(28-11)23-7-9-5-10(8-23)24(9)16(25)22-1-3-26-4-2-22/h6,9-10,12H,1-5,7-8H2
InChIKeyBYKLVDYISPIPHA-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 [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[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
3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-N-ethyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 175784349
tert-butyl (1R,5S)-3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 175784363
Tert-butyl 3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 175784458
Cyclohexyl-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 175784466
2-[2-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-1,3-thiazol-5-yl]-5-(difluoromethyl)-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 175784531
2-[2-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-1,3-thiazol-5-yl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 175784532
5-[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carbaldehyde
CID 176862702
Cyclohexyl-[3-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 176862714
[5-[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone
CID 176862724
Cyclohexyl-[3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone;fluoromethane
CID 165130437
Cyclohexyl-[3-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
CID 165130438

Frequently Asked Questions

What is the IUPAC name of [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone (CID 175784239) is [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1C2CC1CN(c1ncc(-c3nnc(C(F)F)o3)s1)C2.
What is the InChIKey of [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone?
The InChIKey is BYKLVDYISPIPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O3S/c17-12(18)14-21-20-13(27-14)11-6-19-15(28-11)23-7-9-5-10(8-23)24(9)16(25)22-1-3-26-4-2-22/h6,9-10,12H,1-5,7-8H2.
What are the key properties of [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone?
[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-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 [3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 175784239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).