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

C19H22N4O3S — CID 118911096

IUPAC2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(c1ccc2c(c1)OCO2)N1CCN(c2nc3c(s2)C(=O)NCC3)CC1
InChIInChI=1S/C19H22N4O3S/c1-12(13-2-3-15-16(10-13)26-11-25-15)22-6-8-23(9-7-22)19-21-14-4-5-20-18(24)17(14)27-19/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)
InChIKeyHPYLMWMILDRKDO-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.04
Rot. Bonds3

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

2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 118911096) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID118911096
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(c1ccc2c(c1)OCO2)N1CCN(c2nc3c(s2)C(=O)NCC3)CC1
InChIInChI=1S/C19H22N4O3S/c1-12(13-2-3-15-16(10-13)26-11-25-15)22-6-8-23(9-7-22)19-21-14-4-5-20-18(24)17(14)27-19/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)
InChIKeyHPYLMWMILDRKDO-UHFFFAOYSA-N
XLogP2.04
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 118911096) is 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is CC(c1ccc2c(c1)OCO2)N1CCN(c2nc3c(s2)C(=O)NCC3)CC1.
What is the InChIKey of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is HPYLMWMILDRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(13-2-3-15-16(10-13)26-11-25-15)22-6-8-23(9-7-22)19-21-14-4-5-20-18(24)17(14)27-19/h2-3,10,12H,4-9,11H2,1H3,(H,20,24).
What are the key properties of 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 386.48 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 118911096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).