cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

C19H24FN5O2S — CID 176862692

IUPACcyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCC(F)c1nnc(-c2cnc(N3CC4CC3CN4C(=O)C3CCCCC3)s2)o1
InChIInChI=1S/C19H24FN5O2S/c1-11(20)16-22-23-17(27-16)15-8-21-19(28-15)25-10-13-7-14(25)9-24(13)18(26)12-5-3-2-4-6-12/h8,11-14H,2-7,9-10H2,1H3
InChIKeySDXBDHKXGQVTFP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.59
Rot. Bonds4

About cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 176862692) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID176862692
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC Namecyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCC(F)c1nnc(-c2cnc(N3CC4CC3CN4C(=O)C3CCCCC3)s2)o1
InChIInChI=1S/C19H24FN5O2S/c1-11(20)16-22-23-17(27-16)15-8-21-19(28-15)25-10-13-7-14(25)9-24(13)18(26)12-5-3-2-4-6-12/h8,11-14H,2-7,9-10H2,1H3
InChIKeySDXBDHKXGQVTFP-UHFFFAOYSA-N
XLogP3.59
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone 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 cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (CID 176862692) is cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is CC(F)c1nnc(-c2cnc(N3CC4CC3CN4C(=O)C3CCCCC3)s2)o1.
What is the InChIKey of cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is SDXBDHKXGQVTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-11(20)16-22-23-17(27-16)15-8-21-19(28-15)25-10-13-7-14(25)9-24(13)18(26)12-5-3-2-4-6-12/h8,11-14H,2-7,9-10H2,1H3.
What are the key properties of cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 176862692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).