5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C16H17FN6S — CID 141318221

IUPAC5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(n3ncnc3-c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H17FN6S/c1-11-20-16(24-21-11)22-8-6-14(7-9-22)23-15(18-10-19-23)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3
InChIKeyVVFIHQKZUDTZPP-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.09
Rot. Bonds3

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

5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 141318221) has the molecular formula C16H17FN6S and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID141318221
Molecular FormulaC16H17FN6S
Molecular Weight344.42 g/mol
Exact Mass344.12
IUPAC Name5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCC(n3ncnc3-c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H17FN6S/c1-11-20-16(24-21-11)22-8-6-14(7-9-22)23-15(18-10-19-23)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3
InChIKeyVVFIHQKZUDTZPP-UHFFFAOYSA-N
XLogP3.09
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole with MolForge

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Related Compounds

2-(4-fluorophenyl)-2-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetonitrile
CID 155711690
5-[[4-Benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyltetrazole
CID 16360375
3-ethyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
CID 71861524
3-cyclopropyl-5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,2,4-thiadiazole
CID 71861525
5-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-propan-2-yl-1,2,4-thiadiazole
CID 75377001
1-[4-[5-(4-Fluorophenyl)tetrazol-2-yl]-1-piperidyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 172054194
1-[4-[5-(4-Fluorophenyl)tetrazol-2-yl]-1-piperidyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanone
CID 172054249
1-[4-[5-(3,4-Difluorophenyl)tetrazol-2-yl]-1-piperidyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 172054464
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 72894851
1-[(1S)-1-(2-benzyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 129610278
3-phenyl-5-[4-(2H-tetrazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 138019175
N,N-dimethyl-3-[[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164639720

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 141318221) is 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCC(n3ncnc3-c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is VVFIHQKZUDTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6S/c1-11-20-16(24-21-11)22-8-6-14(7-9-22)23-15(18-10-19-23)12-2-4-13(17)5-3-12/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 344.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(4-fluorophenyl)-1,2,4-triazol-1-yl]piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 141318221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).