3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine

C18H21N5S — CID 53192076

IUPAC3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1ccsc1CN1CCCC(c2nc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C18H21N5S/c1-13-6-9-24-16(13)12-23-8-3-5-15(11-23)18-20-17(21-22-18)14-4-2-7-19-10-14/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H,20,21,22)
InChIKeyAZFOCHMKZJGJSK-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.62
Rot. Bonds4

About 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine

3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 53192076) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID53192076
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1ccsc1CN1CCCC(c2nc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C18H21N5S/c1-13-6-9-24-16(13)12-23-8-3-5-15(11-23)18-20-17(21-22-18)14-4-2-7-19-10-14/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H,20,21,22)
InChIKeyAZFOCHMKZJGJSK-UHFFFAOYSA-N
XLogP3.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine with MolForge

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Related Compounds

3-[5-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192083
3-[5-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192073
3-[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 110244523
2-methyl-4-[[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 126468199
3,5-dimethyl-4-[[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95110918
2-(2,3-dihydrobenzimidazol-1-yl)-1-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 123187322
(4-piperidin-1-ylphenyl)-[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 16669713
6-[(3-methylthiophen-2-yl)methyl]-2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136763439
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
3-[5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazol-3-yl]pyridine;dihydrochloride
CID 146064513
3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine
CID 130454475
2-pyridin-3-yl-4-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136673524

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine (CID 53192076) is 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine is Cc1ccsc1CN1CCCC(c2nc(-c3cccnc3)n[nH]2)C1.
What is the InChIKey of 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is AZFOCHMKZJGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-13-6-9-24-16(13)12-23-8-3-5-15(11-23)18-20-17(21-22-18)14-4-2-7-19-10-14/h2,4,6-7,9-10,15H,3,5,8,11-12H2,1H3,(H,20,21,22).
What are the key properties of 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine?
3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 339.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 53192076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).