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

C15H18ClFN4S — CID 97240826

IUPAC5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole
SMILESC[C@H](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/t11-/m1/s1
InChIKeyNPEJJSJWABAOIM-LLVKDONJSA-N
MW340.86 g/mol
LogP3.21
Rot. Bonds4

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

5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole (PubChem CID 97240826) has the molecular formula C15H18ClFN4S and a molecular weight of 340.86 g/mol. Its IUPAC name is 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole
PubChem CID97240826
Molecular FormulaC15H18ClFN4S
Molecular Weight340.86 g/mol
Exact Mass340.09
IUPAC Name5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole
SMILESC[C@H](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/t11-/m1/s1
InChIKeyNPEJJSJWABAOIM-LLVKDONJSA-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

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4-[[(5-Chlorothiadiazol-4-yl)methyl-propylamino]methyl]benzonitrile
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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
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4-[(4-Benzylpiperazin-1-yl)methyl]-5-chlorothiadiazole
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CID 53601427
(1S*,5R*)-3-(4-fluorobenzyl)-6-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
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5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole (CID 97240826) is 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole is C[C@H](c1cccc(F)c1)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
The InChIKey is NPEJJSJWABAOIM-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of 5-chloro-4-[[4-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole?
5-chloro-4-[[4-[(1R)-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-[(1R)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 97240826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).