2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C21H28N4OS — CID 130376958

IUPAC2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C21H28N4OS/c1-15(17-4-3-16-6-12-26-19(16)13-17)24-8-10-25(11-9-24)21-22-18-5-7-23(2)14-20(18)27-21/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyOJGGBEWJYFSLKN-UHFFFAOYSA-N
MW384.55 g/mol
LogP2.95
Rot. Bonds3

About 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 130376958) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID130376958
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C21H28N4OS/c1-15(17-4-3-16-6-12-26-19(16)13-17)24-8-10-25(11-9-24)21-22-18-5-7-23(2)14-20(18)27-21/h3-4,13,15H,5-12,14H2,1-2H3
InChIKeyOJGGBEWJYFSLKN-UHFFFAOYSA-N
XLogP2.95
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 130376958) is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)CN(C)CC3)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is OJGGBEWJYFSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-15(17-4-3-16-6-12-26-19(16)13-17)24-8-10-25(11-9-24)21-22-18-5-7-23(2)14-20(18)27-21/h3-4,13,15H,5-12,14H2,1-2H3.
What are the key properties of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 384.55 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 130376958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).