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

C20H24N4O2S — CID 130366582

IUPAC2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)C(=O)NCC3)CC1
InChIInChI=1S/C20H24N4O2S/c1-13(15-3-2-14-5-11-26-17(14)12-15)23-7-9-24(10-8-23)20-22-16-4-6-21-19(25)18(16)27-20/h2-3,12-13H,4-11H2,1H3,(H,21,25)
InChIKeyJOYPVTGBFGRMMD-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.25
Rot. Bonds3

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

2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 130366582) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID130366582
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)C(=O)NCC3)CC1
InChIInChI=1S/C20H24N4O2S/c1-13(15-3-2-14-5-11-26-17(14)12-15)23-7-9-24(10-8-23)20-22-16-4-6-21-19(25)18(16)27-20/h2-3,12-13H,4-11H2,1H3,(H,21,25)
InChIKeyJOYPVTGBFGRMMD-UHFFFAOYSA-N
XLogP2.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 24881032
2-acetamido-N-[(1S)-1-[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118952234
N-[(1S)-1-[4-[[6-(cyclopropylmethoxy)-4-fluoro-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 121336033
2-acetamido-N-[(1S)-1-[4-[[6-(cyclopropylmethoxy)-4-fluoro-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 121336064
N-[(1S)-1-[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]ethyl]-4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxamide
CID 121336067
2-acetamido-N-[(1S)-1-[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 121336069
2-acetamido-N-[(1S)-1-[4-[(5-cyclobutyloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 121336072
3-methoxy-4-pyrazolidin-4-yl-N-[[3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylcarbamoyl)phenyl]methyl]benzamide
CID 131636081
3-methoxy-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-4-pyrazolidin-4-ylbenzamide
CID 131636082
US10336775, Example 148
CID 118911096
(S)-2-(4-(1-(2,3-dihydrobenzofuran-6-yl)ethyl)piperazin-1-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine and (R)-2-(4-(1-(2,3-dihydrobenzofuran-6-yl)ethyl)piperazin-1-yl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CID 130366526
2-[4-[1-(2,3-Dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-methyl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 130366577

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-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-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 130366582) is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-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-(2,3-dihydro-1-benzofuran-6-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-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is CC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)C(=O)NCC3)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is JOYPVTGBFGRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13(15-3-2-14-5-11-26-17(14)12-15)23-7-9-24(10-8-23)20-22-16-4-6-21-19(25)18(16)27-20/h2-3,12-13H,4-11H2,1H3,(H,21,25).
What are the key properties of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 384.51 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 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]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 130366582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).