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

C14H16F2N6O2S — CID 175784349

IUPAC3-[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
SMILESCCNC(=O)N1C2CC1CN(c1ncc(-c3nnc(C(F)F)o3)s1)C2
InChIInChI=1S/C14H16F2N6O2S/c1-2-17-13(23)22-7-3-8(22)6-21(5-7)14-18-4-9(25-14)11-19-20-12(24-11)10(15)16/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,23)
InChIKeyRYHHMIHPNSWHTC-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.12
Rot. Bonds4

About 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

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 (PubChem CID 175784349) has the molecular formula C14H16F2N6O2S and a molecular weight of 370.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID175784349
Molecular FormulaC14H16F2N6O2S
Molecular Weight370.39 g/mol
Exact Mass370.10
IUPAC Name3-[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
SMILESCCNC(=O)N1C2CC1CN(c1ncc(-c3nnc(C(F)F)o3)s1)C2
InChIInChI=1S/C14H16F2N6O2S/c1-2-17-13(23)22-7-3-8(22)6-21(5-7)14-18-4-9(25-14)11-19-20-12(24-11)10(15)16/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,23)
InChIKeyRYHHMIHPNSWHTC-UHFFFAOYSA-N
XLogP2.12
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)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]-N-ethyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is RYHHMIHPNSWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6O2S/c1-2-17-13(23)22-7-3-8(22)6-21(5-7)14-18-4-9(25-14)11-19-20-12(24-11)10(15)16/h4,7-8,10H,2-3,5-6H2,1H3,(H,17,23).
What are the key properties of 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?
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 has a molecular weight of 370.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-N-ethyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 175784349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).