1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone

C17H23N5OS — CID 71740500

IUPAC1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C17H23N5OS/c1-13(23)21-7-2-16(3-8-21)22-12-15(18-19-22)11-20-6-4-17-14(10-20)5-9-24-17/h5,9,12,16H,2-4,6-8,10-11H2,1H3
InChIKeyPLNZKGBHUFEVHL-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.08
Rot. Bonds3

About 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 71740500) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID71740500
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1
InChIInChI=1S/C17H23N5OS/c1-13(23)21-7-2-16(3-8-21)22-12-15(18-19-22)11-20-6-4-17-14(10-20)5-9-24-17/h5,9,12,16H,2-4,6-8,10-11H2,1H3
InChIKeyPLNZKGBHUFEVHL-UHFFFAOYSA-N
XLogP2.08
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone (CID 71740500) is 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(CN3CCc4sccc4C3)nn2)CC1.
What is the InChIKey of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is PLNZKGBHUFEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13(23)21-7-2-16(3-8-21)22-12-15(18-19-22)11-20-6-4-17-14(10-20)5-9-24-17/h5,9,12,16H,2-4,6-8,10-11H2,1H3.
What are the key properties of 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71740500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).