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

C20H26N4OS — CID 130366526

IUPAC2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C20H26N4OS/c1-14(16-3-2-15-5-11-25-18(15)12-16)23-7-9-24(10-8-23)20-22-17-4-6-21-13-19(17)26-20/h2-3,12,14,21H,4-11,13H2,1H3
InChIKeyCCYHSWGUDVNJBB-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.61
Rot. Bonds3

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

2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 130366526) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID130366526
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C20H26N4OS/c1-14(16-3-2-15-5-11-25-18(15)12-16)23-7-9-24(10-8-23)20-22-17-4-6-21-13-19(17)26-20/h2-3,12,14,21H,4-11,13H2,1H3
InChIKeyCCYHSWGUDVNJBB-UHFFFAOYSA-N
XLogP2.61
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[(2-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 45489068
5-[(3-methoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 45489186
5-[(3-phenoxyphenyl)methyl]-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 45489220
US11458140, Example 11
CID 137545810
US10336775, Example 182
CID 118911158
US10336775, Example 194
CID 118911209
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
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
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]ethanone
CID 130376882
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
2-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 130377003
N-[4-methoxy-3-[[(2-phenylpiperidin-3-yl)amino]methyl]phenyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 18533770

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 130366526) is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[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]-4,5,6,7-tetrahydro-[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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CC(c1ccc2c(c1)OCC2)N1CCN(c2nc3c(s2)CNCC3)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is CCYHSWGUDVNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14(16-3-2-15-5-11-25-18(15)12-16)23-7-9-24(10-8-23)20-22-17-4-6-21-13-19(17)26-20/h2-3,12,14,21H,4-11,13H2,1H3.
What are the key properties of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 370.52 g/mol, XLogP of 2.61, 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]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 130366526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).