2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

C14H15F3N6S — CID 134077542

IUPAC2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESFc1cnc(N2CCC3(C2)CN(c2nncs2)CCC3(F)F)nc1
InChIInChI=1S/C14H15F3N6S/c15-10-5-18-11(19-6-10)22-3-1-13(7-22)8-23(4-2-14(13,16)17)12-21-20-9-24-12/h5-6,9H,1-4,7-8H2
InChIKeyPCRGIAICADQGFL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.21
Rot. Bonds2

About 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (PubChem CID 134077542) has the molecular formula C14H15F3N6S and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
PubChem CID134077542
Molecular FormulaC14H15F3N6S
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESFc1cnc(N2CCC3(C2)CN(c2nncs2)CCC3(F)F)nc1
InChIInChI=1S/C14H15F3N6S/c15-10-5-18-11(19-6-10)22-3-1-13(7-22)8-23(4-2-14(13,16)17)12-21-20-9-24-12/h5-6,9H,1-4,7-8H2
InChIKeyPCRGIAICADQGFL-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (CID 134077542) is 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is Fc1cnc(N2CCC3(C2)CN(c2nncs2)CCC3(F)F)nc1.
What is the InChIKey of 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The InChIKey is PCRGIAICADQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6S/c15-10-5-18-11(19-6-10)22-3-1-13(7-22)8-23(4-2-14(13,16)17)12-21-20-9-24-12/h5-6,9H,1-4,7-8H2.
What are the key properties of 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole has a molecular weight of 356.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 134077542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).