cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone

C17H19FN4OS — CID 811488

IUPACcyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C17H19FN4OS/c18-14-5-1-12(2-6-14)11-15-19-17(24-20-15)22-9-7-21(8-10-22)16(23)13-3-4-13/h1-2,5-6,13H,3-4,7-11H2
InChIKeyUVNNYQIZEVIQFT-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.33
Rot. Bonds4

About cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 811488) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
PubChem CID811488
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Namecyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1
InChIInChI=1S/C17H19FN4OS/c18-14-5-1-12(2-6-14)11-15-19-17(24-20-15)22-9-7-21(8-10-22)16(23)13-3-4-13/h1-2,5-6,13H,3-4,7-11H2
InChIKeyUVNNYQIZEVIQFT-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone (CID 811488) is cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1.
What is the InChIKey of cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is UVNNYQIZEVIQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-14-5-1-12(2-6-14)11-15-19-17(24-20-15)22-9-7-21(8-10-22)16(23)13-3-4-13/h1-2,5-6,13H,3-4,7-11H2.
What are the key properties of cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 811488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).