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

C19H26FN5O2S — CID 165130437

IUPACcyclohexyl-[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
SMILESCF.Cc1nnc(-c2cnc(N3CC4CC(C3)N4C(=O)C3CCCCC3)s2)o1
InChIInChI=1S/C18H23N5O2S.CH3F/c1-11-20-21-16(25-11)15-8-19-18(26-15)22-9-13-7-14(10-22)23(13)17(24)12-5-3-2-4-6-12;1-2/h8,12-14H,2-7,9-10H2,1H3;1H3
InChIKeyPRVHZVCMBPDTCF-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.46
Rot. Bonds3

About 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

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 (PubChem CID 165130437) has the molecular formula C19H26FN5O2S and a molecular weight of 407.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclohexyl-[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
PubChem CID165130437
Molecular FormulaC19H26FN5O2S
Molecular Weight407.52 g/mol
Exact Mass407.18
IUPAC Namecyclohexyl-[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
SMILESCF.Cc1nnc(-c2cnc(N3CC4CC(C3)N4C(=O)C3CCCCC3)s2)o1
InChIInChI=1S/C18H23N5O2S.CH3F/c1-11-20-21-16(25-11)15-8-19-18(26-15)22-9-13-7-14(10-22)23(13)17(24)12-5-3-2-4-6-12;1-2/h8,12-14H,2-7,9-10H2,1H3;1H3
InChIKeyPRVHZVCMBPDTCF-UHFFFAOYSA-N
XLogP3.46
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.46
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-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone;fluoromethane?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CF.Cc1nnc(-c2cnc(N3CC4CC(C3)N4C(=O)C3CCCCC3)s2)o1.
What is the InChIKey of 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?
The InChIKey is PRVHZVCMBPDTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.CH3F/c1-11-20-21-16(25-11)15-8-19-18(26-15)22-9-13-7-14(10-22)23(13)17(24)12-5-3-2-4-6-12;1-2/h8,12-14H,2-7,9-10H2,1H3;1H3.
What are the key properties of 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?
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 has a molecular weight of 407.52 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165130437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).