N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine

C13H15N7S — CID 122141872

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine
SMILESCCn1cnc2c(NCc3cn4c(n3)SCC4)ncnc21
InChIInChI=1S/C13H15N7S/c1-2-19-8-17-10-11(15-7-16-12(10)19)14-5-9-6-20-3-4-21-13(20)18-9/h6-8H,2-5H2,1H3,(H,14,15,16)
InChIKeyVUSBPJVAWIEAFN-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.76
Rot. Bonds4

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine (PubChem CID 122141872) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine
PubChem CID122141872
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine
SMILESCCn1cnc2c(NCc3cn4c(n3)SCC4)ncnc21
InChIInChI=1S/C13H15N7S/c1-2-19-8-17-10-11(15-7-16-12(10)19)14-5-9-6-20-3-4-21-13(20)18-9/h6-8H,2-5H2,1H3,(H,14,15,16)
InChIKeyVUSBPJVAWIEAFN-UHFFFAOYSA-N
XLogP1.76
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
9-ethyl-N-methylpurin-6-amine
CID 23389288
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
9-ethyl-N-[[1-(methylamino)cyclobutyl]methyl]purin-6-amine
CID 131962638
2-[4-[[(9-ethylpurin-6-yl)amino]methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 122141900
N-[2-(3,5-dimethylphenoxy)ethyl]-9-ethylpurin-6-amine
CID 165433963
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 74246877
N-benzyl-9-heptylpurin-6-amine
CID 71371736
1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine
CID 18440604
9-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]purin-6-amine
CID 136544668
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine (CID 122141872) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine is CCn1cnc2c(NCc3cn4c(n3)SCC4)ncnc21.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine?
The InChIKey is VUSBPJVAWIEAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-19-8-17-10-11(15-7-16-12(10)19)14-5-9-6-20-3-4-21-13(20)18-9/h6-8H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine has a molecular weight of 301.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-ethylpurin-6-amine is sourced from PubChem (CID 122141872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).