5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine

C17H27N5S — CID 73350605

IUPAC5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine
SMILESCCN1CCC(n2cc(CN3CCC4SC=CC4C3)nn2)CC1
InChIInChI=1S/C17H27N5S/c1-2-20-7-3-16(4-8-20)22-13-15(18-19-22)12-21-9-5-17-14(11-21)6-10-23-17/h6,10,13-14,16-17H,2-5,7-9,11-12H2,1H3
InChIKeySLBOIEZSALKLLZ-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.39
Rot. Bonds4

About 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine

5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine (PubChem CID 73350605) has the molecular formula C17H27N5S and a molecular weight of 333.50 g/mol. Its IUPAC name is 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine
PubChem CID73350605
Molecular FormulaC17H27N5S
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC Name5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine
SMILESCCN1CCC(n2cc(CN3CCC4SC=CC4C3)nn2)CC1
InChIInChI=1S/C17H27N5S/c1-2-20-7-3-16(4-8-20)22-13-15(18-19-22)12-21-9-5-17-14(11-21)6-10-23-17/h6,10,13-14,16-17H,2-5,7-9,11-12H2,1H3
InChIKeySLBOIEZSALKLLZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine 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-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]-1-[(3R)-thiolan-3-yl]piperidine
CID 31053842
4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]-1-[(3S)-thiolan-3-yl]piperidine
CID 31053846
4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(tetrahydro-2H-thiopyran-4-yl)piperidine bis(trifluoroacetate)
CID 31192622
4-{4-[(2,2-dimethyl-1-pyrrolidinyl)methyl]-1H-1,2,3-triazol-1-yl}-1-(tetrahydro-3-thienyl)piperidine bis(trifluoroacetate)
CID 45217884
4-[[1-[1-(2-Methylpentyl)piperidin-4-yl]triazol-4-yl]methyl]thiomorpholine
CID 46984243
4-[4-(2-Methylpropyl)triazol-1-yl]-1-(thian-4-yl)piperidine
CID 46993200
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-[3-(methylthio)butyl]piperidine
CID 47000425
4-(4-cyclopentyltriazol-1-yl)-1-[(3S)-3-methylsulfanylbutyl]piperidine
CID 52402081
4-(4-cyclopentyltriazol-1-yl)-1-[(3R)-3-methylsulfanylbutyl]piperidine
CID 52402083
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-[1-methyl-2-(methylthio)ethyl]piperidine trifluoroacetate
CID 56858231

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine?
The IUPAC name of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine (CID 73350605) is 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine is CCN1CCC(n2cc(CN3CCC4SC=CC4C3)nn2)CC1.
What is the InChIKey of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine?
The InChIKey is SLBOIEZSALKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c1-2-20-7-3-16(4-8-20)22-13-15(18-19-22)12-21-9-5-17-14(11-21)6-10-23-17/h6,10,13-14,16-17H,2-5,7-9,11-12H2,1H3.
What are the key properties of 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine?
5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine has a molecular weight of 333.50 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-ethylpiperidin-4-yl)triazol-4-yl]methyl]-4,6,7,7a-tetrahydro-3aH-thieno[3,2-c]pyridine is sourced from PubChem (CID 73350605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).