2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C17H25N5OS — CID 84590359

IUPAC2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(c3ncc(C)cn3)CC2)cs1
InChIInChI=1S/C17H25N5OS/c1-4-23-14(3)16-20-15(12-24-16)11-21-5-7-22(8-6-21)17-18-9-13(2)10-19-17/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyAMLFJFXFGDJCBY-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.66
Rot. Bonds6

About 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 84590359) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID84590359
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCN(c3ncc(C)cn3)CC2)cs1
InChIInChI=1S/C17H25N5OS/c1-4-23-14(3)16-20-15(12-24-16)11-21-5-7-22(8-6-21)17-18-9-13(2)10-19-17/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyAMLFJFXFGDJCBY-UHFFFAOYSA-N
XLogP2.66
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 84590359) is 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is CCOC(C)c1nc(CN2CCN(c3ncc(C)cn3)CC2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AMLFJFXFGDJCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-4-23-14(3)16-20-15(12-24-16)11-21-5-7-22(8-6-21)17-18-9-13(2)10-19-17/h9-10,12,14H,4-8,11H2,1-3H3.
What are the key properties of 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 347.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 84590359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).