2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol

C17H19N5OS — CID 136557228

IUPAC2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C17H19N5OS/c23-11-10-21-6-8-22(9-7-21)17-16-15(18-12-19-17)14(20-24-16)13-4-2-1-3-5-13/h1-5,12,23H,6-11H2
InChIKeyGORZUOYTIMMKAI-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol

2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol (PubChem CID 136557228) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol
PubChem CID136557228
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
InChIInChI=1S/C17H19N5OS/c23-11-10-21-6-8-22(9-7-21)17-16-15(18-12-19-17)14(20-24-16)13-4-2-1-3-5-13/h1-5,12,23H,6-11H2
InChIKeyGORZUOYTIMMKAI-UHFFFAOYSA-N
XLogP1.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(-)-(s)-6-Amino-alpha-[(4-diphenylmethyl-1-piperazinyl)-methyl]-9h-purine-9-ethanol
CID 10343373
1-(6-Aminopurin-9-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol
CID 13923281
1-(3-Phenyl-isothiazolo[4,5-d]pyrimidin-7-yl)-piperidine-4-carboxylic acid amide
CID 648835
1-(3-p-Tolyl-isothiazolo[4,5-d]pyrimidin-7-yl)-piperidine-4-carboxylic acid amide
CID 650679
Phenyl-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 1461992
9-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]purine-6-carbonitrile
CID 10026933
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-phenylpurin-9-yl)propan-2-ol
CID 10097637
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-thiophen-2-ylpurin-3-yl)propan-2-ol
CID 10436376
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(6-phenylpurin-3-yl)propan-2-ol
CID 10481244
1-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pyrimidin-2-yl]-ethanol
CID 10991473
[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-pyrimidin-2-yl]-methanol
CID 11142000
(2R)-1-(6-aminopurin-9-yl)-3-(4-benzhydrylpiperazin-1-yl)propan-2-ol
CID 11744134

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol (CID 136557228) is 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1.
What is the InChIKey of 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol?
The InChIKey is GORZUOYTIMMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-11-10-21-6-8-22(9-7-21)17-16-15(18-12-19-17)14(20-24-16)13-4-2-1-3-5-13/h1-5,12,23H,6-11H2.
What are the key properties of 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol?
2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol has a molecular weight of 341.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 136557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).