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3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole

C17H21FN6S — CID 155798609

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C2CC2)nc(N2CCN(c3nc(C4CC4)ns3)CC2)c1F
InChIInChI=1S/C17H21FN6S/c1-10-13(18)16(20-14(19-10)11-2-3-11)23-6-8-24(9-7-23)17-21-15(22-25-17)12-4-5-12/h11-12H,2-9H2,1H3
InChIKeyMPXPMZVHDFWWCC-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.86
Rot. Bonds4

About 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 155798609) has the molecular formula C17H21FN6S and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID155798609
Molecular FormulaC17H21FN6S
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESCc1nc(C2CC2)nc(N2CCN(c3nc(C4CC4)ns3)CC2)c1F
InChIInChI=1S/C17H21FN6S/c1-10-13(18)16(20-14(19-10)11-2-3-11)23-6-8-24(9-7-23)17-21-15(22-25-17)12-4-5-12/h11-12H,2-9H2,1H3
InChIKeyMPXPMZVHDFWWCC-UHFFFAOYSA-N
XLogP2.86
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.86
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-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole (CID 155798609) is 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is Cc1nc(C2CC2)nc(N2CCN(c3nc(C4CC4)ns3)CC2)c1F.
What is the InChIKey of 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is MPXPMZVHDFWWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6S/c1-10-13(18)16(20-14(19-10)11-2-3-11)23-6-8-24(9-7-23)17-21-15(22-25-17)12-4-5-12/h11-12H,2-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 360.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 155798609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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