3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole

C17H22FN5OS — CID 155798596

IUPAC3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C)c(F)c(OCC2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C17H22FN5OS/c1-10-14(18)16(20-11(2)19-10)24-9-12-5-7-23(8-6-12)17-21-15(22-25-17)13-3-4-13/h12-13H,3-9H2,1-2H3
InChIKeyPVVYICBYIWVMPL-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.26
Rot. Bonds5

About 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 155798596) has the molecular formula C17H22FN5OS and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID155798596
Molecular FormulaC17H22FN5OS
Molecular Weight363.46 g/mol
Exact Mass363.15
IUPAC Name3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C)c(F)c(OCC2CCN(c3nc(C4CC4)ns3)CC2)n1
InChIInChI=1S/C17H22FN5OS/c1-10-14(18)16(20-11(2)19-10)24-9-12-5-7-23(8-6-12)17-21-15(22-25-17)13-3-4-13/h12-13H,3-9H2,1-2H3
InChIKeyPVVYICBYIWVMPL-UHFFFAOYSA-N
XLogP3.26
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole (CID 155798596) is 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole is Cc1nc(C)c(F)c(OCC2CCN(c3nc(C4CC4)ns3)CC2)n1.
What is the InChIKey of 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is PVVYICBYIWVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5OS/c1-10-14(18)16(20-11(2)19-10)24-9-12-5-7-23(8-6-12)17-21-15(22-25-17)13-3-4-13/h12-13H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 363.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 155798596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).