2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole

C14H17N7S — CID 133476564

IUPAC2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H17N7S/c1-10(14-15-2-7-22-14)20-3-5-21(6-4-20)13-11-12(17-8-16-11)18-9-19-13/h2,7-10H,3-6H2,1H3,(H,16,17,18,19)
InChIKeyVUYRYAWHXNDXIZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.69
Rot. Bonds3

About 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476564) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476564
Molecular FormulaC14H17N7S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H17N7S/c1-10(14-15-2-7-22-14)20-3-5-21(6-4-20)13-11-12(17-8-16-11)18-9-19-13/h2,7-10H,3-6H2,1H3,(H,16,17,18,19)
InChIKeyVUYRYAWHXNDXIZ-UHFFFAOYSA-N
XLogP1.69
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
2-[4-(7H-purin-6-yl)piperazin-1-yl]butanethioamide
CID 63342163
2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476702
2-[4-(7H-purin-6-yl)piperazin-1-yl]-5-thiophen-2-yl-1,3,4-thiadiazole
CID 108772850
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163352034
4-tert-butyl-2-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171334636
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
2-methyl-2-[4-(7H-purin-6-yl)piperazin-1-yl]propanenitrile
CID 63343521
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
2-[1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476450

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476564) is 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is VUYRYAWHXNDXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-10(14-15-2-7-22-14)20-3-5-21(6-4-20)13-11-12(17-8-16-11)18-9-19-13/h2,7-10H,3-6H2,1H3,(H,16,17,18,19).
What are the key properties of 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 315.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).