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

C17H21FN6S — CID 155798609

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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Related Compounds

3-cyclopropyl-5-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 154882614
3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133391187
3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 155798596
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 121184656
3-[[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 155798422
2-[5-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 155798537
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155798905
6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155798288
5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155798869
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155799152
3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 154829111

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).