2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol

C15H21N3O2S — CID 20720226

IUPAC2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol
SMILESCC(C)(O)COc1cc2sccc2c(N2CCNCC2)n1
InChIInChI=1S/C15H21N3O2S/c1-15(2,19)10-20-13-9-12-11(3-8-21-12)14(17-13)18-6-4-16-5-7-18/h3,8-9,16,19H,4-7,10H2,1-2H3
InChIKeyICXIQIQTUQQZCD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol

2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol (PubChem CID 20720226) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol
PubChem CID20720226
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol
SMILESCC(C)(O)COc1cc2sccc2c(N2CCNCC2)n1
InChIInChI=1S/C15H21N3O2S/c1-15(2,19)10-20-13-9-12-11(3-8-21-12)14(17-13)18-6-4-16-5-7-18/h3,8-9,16,19H,4-7,10H2,1-2H3
InChIKeyICXIQIQTUQQZCD-UHFFFAOYSA-N
XLogP1.86
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol 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 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol?
The IUPAC name of 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol (CID 20720226) is 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol?
The canonical SMILES for 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol is CC(C)(O)COc1cc2sccc2c(N2CCNCC2)n1.
What is the InChIKey of 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol?
The InChIKey is ICXIQIQTUQQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,19)10-20-13-9-12-11(3-8-21-12)14(17-13)18-6-4-16-5-7-18/h3,8-9,16,19H,4-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol?
2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol has a molecular weight of 307.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-piperazin-1-ylthieno[3,2-c]pyridin-6-yl)oxypropan-2-ol is sourced from PubChem (CID 20720226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).