[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

C16H16N6OS — CID 84598035

IUPAC[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C16H16N6OS/c23-16(13-9-17-21-24-13)22-8-4-7-12(10-22)15-18-14(19-20-15)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,18,19,20)
InChIKeyFIUPDMPKFCHUAS-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.34
Rot. Bonds3

About [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 84598035) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID84598035
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C16H16N6OS/c23-16(13-9-17-21-24-13)22-8-4-7-12(10-22)15-18-14(19-20-15)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,18,19,20)
InChIKeyFIUPDMPKFCHUAS-UHFFFAOYSA-N
XLogP2.34
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-ethyl-4-methylthiophen-2-yl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75447707
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
(4,4-difluoropyrrolidin-2-yl)-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120955496
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 75517382
2-phenyl-1-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192244
5-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 136545040
5-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]thiophene-2-carboxamide
CID 136522646
(3S)-N-(2-ethoxyethyl)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97351533
(4-piperidin-1-ylphenyl)-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 16669713
N-[[3-(hydroxymethyl)phenyl]methyl]-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 126783649

Frequently Asked Questions

What is the IUPAC name of [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 84598035) is [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is FIUPDMPKFCHUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(13-9-17-21-24-13)22-8-4-7-12(10-22)15-18-14(19-20-15)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10H2,(H,18,19,20).
What are the key properties of [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 84598035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).