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

C20H26N4O2S — CID 118911209

IUPAC2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C20H26N4O2S/c1-14(15-3-4-17-18(11-15)26-13-25-17)23-7-9-24(10-8-23)20-21-16-5-6-22(2)12-19(16)27-20/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyGHZQEGHHKPPLRQ-AWEZNQCLSA-N
MW386.52 g/mol
LogP2.74
Rot. Bonds3

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

2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 118911209) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID118911209
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2nc3c(s2)CN(C)CC3)CC1
InChIInChI=1S/C20H26N4O2S/c1-14(15-3-4-17-18(11-15)26-13-25-17)23-7-9-24(10-8-23)20-21-16-5-6-22(2)12-19(16)27-20/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-/m0/s1
InChIKeyGHZQEGHHKPPLRQ-AWEZNQCLSA-N
XLogP2.74
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 118911209) is 2-[4-[(1S)-1-(1,3-benzodioxol-5-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-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is C[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2nc3c(s2)CN(C)CC3)CC1.
What is the InChIKey of 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is GHZQEGHHKPPLRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(15-3-4-17-18(11-15)26-13-25-17)23-7-9-24(10-8-23)20-21-16-5-6-22(2)12-19(16)27-20/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 386.52 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 118911209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).