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

C19H24FN5O2S — CID 176862714

IUPACcyclohexyl-[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
SMILESCC(F)c1nnc(-c2cnc(N3CC4CC(C3)N4C(=O)C3CCCCC3)s2)o1
InChIInChI=1S/C19H24FN5O2S/c1-11(20)16-22-23-17(27-16)15-8-21-19(28-15)24-9-13-7-14(10-24)25(13)18(26)12-5-3-2-4-6-12/h8,11-14H,2-7,9-10H2,1H3
InChIKeyDUGNISMZTNYADT-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.59
Rot. Bonds4

About 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

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 (PubChem CID 176862714) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclohexyl-[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
PubChem CID176862714
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC Namecyclohexyl-[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
SMILESCC(F)c1nnc(-c2cnc(N3CC4CC(C3)N4C(=O)C3CCCCC3)s2)o1
InChIInChI=1S/C19H24FN5O2S/c1-11(20)16-22-23-17(27-16)15-8-21-19(28-15)24-9-13-7-14(10-24)25(13)18(26)12-5-3-2-4-6-12/h8,11-14H,2-7,9-10H2,1H3
InChIKeyDUGNISMZTNYADT-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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)c1nnc(-c2cnc(N3CC4CC(C3)N4C(=O)C3CCCCC3)s2)o1.
What is the InChIKey of 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?
The InChIKey is DUGNISMZTNYADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-11(20)16-22-23-17(27-16)15-8-21-19(28-15)24-9-13-7-14(10-24)25(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-[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?
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 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-[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 is sourced from PubChem (CID 176862714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).