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

C14H17FN6S — CID 118741106

IUPAC2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESFc1cnc(N2CCC3(CCCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C14H17FN6S/c15-11-6-16-12(17-7-11)20-5-3-14(8-20)2-1-4-21(9-14)13-19-18-10-22-13/h6-7,10H,1-5,8-9H2
InChIKeyMVLAVPVHBIFMCD-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.96
Rot. Bonds2

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

2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (PubChem CID 118741106) has the molecular formula C14H17FN6S and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
PubChem CID118741106
Molecular FormulaC14H17FN6S
Molecular Weight320.40 g/mol
Exact Mass320.12
IUPAC Name2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESFc1cnc(N2CCC3(CCCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C14H17FN6S/c15-11-6-16-12(17-7-11)20-5-3-14(8-20)2-1-4-21(9-14)13-19-18-10-22-13/h6-7,10H,1-5,8-9H2
InChIKeyMVLAVPVHBIFMCD-UHFFFAOYSA-N
XLogP1.96
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (CID 118741106) is 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is Fc1cnc(N2CCC3(CCCN(c4nncs4)C3)C2)nc1.
What is the InChIKey of 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The InChIKey is MVLAVPVHBIFMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6S/c15-11-6-16-12(17-7-11)20-5-3-14(8-20)2-1-4-21(9-14)13-19-18-10-22-13/h6-7,10H,1-5,8-9H2.
What are the key properties of 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole has a molecular weight of 320.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 118741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).