3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole

C17H19F2N3S — CID 133480614

IUPAC3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESFc1ccc(CC2CCN(c3nc(C4CC4)ns3)CC2)cc1F
InChIInChI=1S/C17H19F2N3S/c18-14-4-1-12(10-15(14)19)9-11-5-7-22(8-6-11)17-20-16(21-23-17)13-2-3-13/h1,4,10-11,13H,2-3,5-9H2
InChIKeyUVNDDHFODFHQTI-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.15
Rot. Bonds4

About 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133480614) has the molecular formula C17H19F2N3S and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133480614
Molecular FormulaC17H19F2N3S
Molecular Weight335.42 g/mol
Exact Mass335.13
IUPAC Name3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESFc1ccc(CC2CCN(c3nc(C4CC4)ns3)CC2)cc1F
InChIInChI=1S/C17H19F2N3S/c18-14-4-1-12(10-15(14)19)9-11-5-7-22(8-6-11)17-20-16(21-23-17)13-2-3-13/h1,4,10-11,13H,2-3,5-9H2
InChIKeyUVNDDHFODFHQTI-UHFFFAOYSA-N
XLogP4.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 133335465
2-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 133480545
5-[4-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-3-(3-fluorophenyl)-1,2,4-thiadiazole
CID 90143754
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 155798596
6-cyclopropyl-2-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865502
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
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 171993197
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
2-cyclopropyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133299085
3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 171334111

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole (CID 133480614) is 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole is Fc1ccc(CC2CCN(c3nc(C4CC4)ns3)CC2)cc1F.
What is the InChIKey of 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is UVNDDHFODFHQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3S/c18-14-4-1-12(10-15(14)19)9-11-5-7-22(8-6-11)17-20-16(21-23-17)13-2-3-13/h1,4,10-11,13H,2-3,5-9H2.
What are the key properties of 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 335.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133480614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).