9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine

C11H9N7S — CID 115334201

IUPAC9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1cn2ccsc2n1
InChIInChI=1S/C11H9N7S/c12-9-8-10(14-5-13-9)18(6-15-8)4-7-3-17-1-2-19-11(17)16-7/h1-3,5-6H,4H2,(H2,12,13,14)
InChIKeyJSBWUSGIWJXGHP-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.17
Rot. Bonds2

About 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine

9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine (PubChem CID 115334201) has the molecular formula C11H9N7S and a molecular weight of 271.31 g/mol. Its IUPAC name is 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine.

Molecular Properties

Compound Name9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
PubChem CID115334201
Molecular FormulaC11H9N7S
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine
SMILESNc1ncnc2c1ncn2Cc1cn2ccsc2n1
InChIInChI=1S/C11H9N7S/c12-9-8-10(14-5-13-9)18(6-15-8)4-7-3-17-1-2-19-11(17)16-7/h1-3,5-6H,4H2,(H2,12,13,14)
InChIKeyJSBWUSGIWJXGHP-UHFFFAOYSA-N
XLogP1.17
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
6-[(6-aminopurin-9-yl)methyl]pyridine-2-carbohydrazide
CID 106909508
9-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]purin-6-amine
CID 177370737
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
3-chloro-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrazin-2-one
CID 114561657
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
5-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335314
5-[(6-aminopurin-9-yl)methyl]thiophene-2-carboxylic acid
CID 63377975
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425

Frequently Asked Questions

What is the IUPAC name of 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine?
The IUPAC name of 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine (CID 115334201) is 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine.
What is the SMILES notation for 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine?
The canonical SMILES for 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine is Nc1ncnc2c1ncn2Cc1cn2ccsc2n1.
What is the InChIKey of 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine?
The InChIKey is JSBWUSGIWJXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7S/c12-9-8-10(14-5-13-9)18(6-15-8)4-7-3-17-1-2-19-11(17)16-7/h1-3,5-6H,4H2,(H2,12,13,14).
What are the key properties of 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine?
9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine has a molecular weight of 271.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)purin-6-amine is sourced from PubChem (CID 115334201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).