7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one

C16H16F2N4OS — CID 166239132

IUPAC7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCN(c3nc(-c4cc(F)cc(F)c4)ns3)C2)CN1
InChIInChI=1S/C16H16F2N4OS/c17-11-4-10(5-12(18)6-11)14-20-15(24-21-14)22-3-1-2-16(9-22)7-13(23)19-8-16/h4-6H,1-3,7-9H2,(H,19,23)
InChIKeyKFLCOBBRQHDSCQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.59
Rot. Bonds2

About 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one

7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 166239132) has the molecular formula C16H16F2N4OS and a molecular weight of 350.39 g/mol. Its IUPAC name is 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one
PubChem CID166239132
Molecular FormulaC16H16F2N4OS
Molecular Weight350.39 g/mol
Exact Mass350.10
IUPAC Name7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCN(c3nc(-c4cc(F)cc(F)c4)ns3)C2)CN1
InChIInChI=1S/C16H16F2N4OS/c17-11-4-10(5-12(18)6-11)14-20-15(24-21-14)22-3-1-2-16(9-22)7-13(23)19-8-16/h4-6H,1-3,7-9H2,(H,19,23)
InChIKeyKFLCOBBRQHDSCQ-UHFFFAOYSA-N
XLogP2.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one (CID 166239132) is 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one is O=C1CC2(CCCN(c3nc(-c4cc(F)cc(F)c4)ns3)C2)CN1.
What is the InChIKey of 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is KFLCOBBRQHDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS/c17-11-4-10(5-12(18)6-11)14-20-15(24-21-14)22-3-1-2-16(9-22)7-13(23)19-8-16/h4-6H,1-3,7-9H2,(H,19,23).
What are the key properties of 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one?
7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 350.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-yl]-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 166239132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).