2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

C18H26N4OS — CID 71988814

IUPAC2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(Cc3cccnc3)CC2)cs1
InChIInChI=1S/C18H26N4OS/c1-3-23-15(2)18-20-17(14-24-18)13-22-9-7-21(8-10-22)12-16-5-4-6-19-11-16/h4-6,11,14-15H,3,7-10,12-13H2,1-2H3
InChIKeyCOZBCEHNQSTHGV-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.95
Rot. Bonds7

About 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 71988814) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID71988814
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(Cc3cccnc3)CC2)cs1
InChIInChI=1S/C18H26N4OS/c1-3-23-15(2)18-20-17(14-24-18)13-22-9-7-21(8-10-22)12-16-5-4-6-19-11-16/h4-6,11,14-15H,3,7-10,12-13H2,1-2H3
InChIKeyCOZBCEHNQSTHGV-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 71988814) is 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCN(Cc3cccnc3)CC2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is COZBCEHNQSTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-3-23-15(2)18-20-17(14-24-18)13-22-9-7-21(8-10-22)12-16-5-4-6-19-11-16/h4-6,11,14-15H,3,7-10,12-13H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 346.50 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 71988814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).