4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine

C20H31N5S2 — CID 26352610

IUPAC4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H31N5S2/c1-23-19(18-5-10-25(11-6-18)15-17-7-13-26-16-17)21-22-20(23)27-14-12-24-8-3-2-4-9-24/h7,13,16,18H,2-6,8-12,14-15H2,1H3
InChIKeySFEFXLPTURQNFL-UHFFFAOYSA-N
MW405.64 g/mol
LogP3.83
Rot. Bonds7

About 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine

4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine (PubChem CID 26352610) has the molecular formula C20H31N5S2 and a molecular weight of 405.64 g/mol. Its IUPAC name is 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine
PubChem CID26352610
Molecular FormulaC20H31N5S2
Molecular Weight405.64 g/mol
Exact Mass405.20
IUPAC Name4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine
SMILESCn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H31N5S2/c1-23-19(18-5-10-25(11-6-18)15-17-7-13-26-16-17)21-22-20(23)27-14-12-24-8-3-2-4-9-24/h7,13,16,18H,2-6,8-12,14-15H2,1H3
InChIKeySFEFXLPTURQNFL-UHFFFAOYSA-N
XLogP3.83
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.64
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[[4-benzyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]morpholine
CID 26275280
1-[[4-methyl-5-[1-(thiophen-3-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70751821
1-[[4-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]azepane
CID 72884249
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
1-[2-[[4-[(1R)-1-cyclohexylethyl]-5-thiophen-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine
CID 57345731
1-(furan-3-ylmethyl)-4-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 26357784
4-[2-[5-methyl-4-[1-(thiophen-3-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]sulfanylethyl]morpholine
CID 126465783
3-chloro-5-cyclopropyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385744
1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]azepan-2-one
CID 134795587
1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 60536255
4-(bromomethyl)-1-(thiophen-3-ylmethyl)azepane
CID 131162358
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine?
The IUPAC name of 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine (CID 26352610) is 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine.
What is the SMILES notation for 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine?
The canonical SMILES for 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine is Cn1c(SCCN2CCCCC2)nnc1C1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine?
The InChIKey is SFEFXLPTURQNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5S2/c1-23-19(18-5-10-25(11-6-18)15-17-7-13-26-16-17)21-22-20(23)27-14-12-24-8-3-2-4-9-24/h7,13,16,18H,2-6,8-12,14-15H2,1H3.
What are the key properties of 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine?
4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine has a molecular weight of 405.64 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]-1-(thiophen-3-ylmethyl)piperidine is sourced from PubChem (CID 26352610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).