5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole

C15H18ClFN4S — CID 75387893

IUPAC5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole
SMILESCC(c1cccc(F)c1)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C15H18ClFN4S/c1-11(12-3-2-4-13(17)9-12)21-7-5-20(6-8-21)10-14-15(16)22-19-18-14/h2-4,9,11H,5-8,10H2,1H3
InChIKeyNPEJJSJWABAOIM-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole

5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole (PubChem CID 75387893) has the molecular formula C15H18ClFN4S and a molecular weight of 340.86 g/mol. Its IUPAC name is 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole
PubChem CID75387893
Molecular FormulaC15H18ClFN4S
Molecular Weight340.86 g/mol
Exact Mass340.09
IUPAC Name5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole
SMILESCC(c1cccc(F)c1)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C15H18ClFN4S/c1-11(12-3-2-4-13(17)9-12)21-7-5-20(6-8-21)10-14-15(16)22-19-18-14/h2-4,9,11H,5-8,10H2,1H3
InChIKeyNPEJJSJWABAOIM-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[(5-chlorothiadiazol-4-yl)methyl]propan-2-amine
CID 43408641
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CID 47013665
4-[[(5-Chlorothiadiazol-4-yl)methyl-propylamino]methyl]benzonitrile
CID 47039000
4-[1-[(5-Chlorothiadiazol-4-yl)methyl-ethylamino]ethyl]benzonitrile
CID 51091044
4-[[(5-Chlorothiadiazol-4-yl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 51098705
N-[(3-chlorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]propan-2-amine
CID 52274516
5-[[(1R,5S)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-4-methylthiadiazole
CID 155565180
4-[(4-Benzylpiperazin-1-yl)methyl]-5-chlorothiadiazole
CID 43407815
5-Chloro-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]thiadiazole
CID 51075593
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2,2-trifluoro-N-methyl-1-phenylethanamine
CID 53601427
(1S*,5R*)-3-(4-fluorobenzyl)-6-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 72877021
5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole
CID 24657280

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole (CID 75387893) is 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole is CC(c1cccc(F)c1)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
The InChIKey is NPEJJSJWABAOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4S/c1-11(12-3-2-4-13(17)9-12)21-7-5-20(6-8-21)10-14-15(16)22-19-18-14/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole has a molecular weight of 340.86 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 75387893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).