8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane

C11H15F2N3OS — CID 138001216

IUPAC8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCC1CN(c2nnc(C(F)F)s2)CC2(CCC2)O1
InChIInChI=1S/C11H15F2N3OS/c1-7-5-16(6-11(17-7)3-2-4-11)10-15-14-9(18-10)8(12)13/h7-8H,2-6H2,1H3
InChIKeyFDRGOBLTASVYJC-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.62
Rot. Bonds2

About 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane

8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 138001216) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
PubChem CID138001216
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCC1CN(c2nnc(C(F)F)s2)CC2(CCC2)O1
InChIInChI=1S/C11H15F2N3OS/c1-7-5-16(6-11(17-7)3-2-4-11)10-15-14-9(18-10)8(12)13/h7-8H,2-6H2,1H3
InChIKeyFDRGOBLTASVYJC-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane (CID 138001216) is 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane is CC1CN(c2nnc(C(F)F)s2)CC2(CCC2)O1.
What is the InChIKey of 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is FDRGOBLTASVYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-7-5-16(6-11(17-7)3-2-4-11)10-15-14-9(18-10)8(12)13/h7-8H,2-6H2,1H3.
What are the key properties of 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane?
8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 275.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-methyl-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 138001216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).