9-(1,3-thiazol-2-yl)purin-6-amine

C8H6N6S — CID 57204546

IUPAC9-(1,3-thiazol-2-yl)purin-6-amine
SMILESNc1ncnc2c1ncn2-c1nccs1
InChIInChI=1S/C8H6N6S/c9-6-5-7(12-3-11-6)14(4-13-5)8-10-1-2-15-8/h1-4H,(H2,9,11,12)
InChIKeyKJVJQPBTCQKPNO-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds1

About 9-(1,3-thiazol-2-yl)purin-6-amine

9-(1,3-thiazol-2-yl)purin-6-amine (PubChem CID 57204546) has the molecular formula C8H6N6S and a molecular weight of 218.25 g/mol. Its IUPAC name is 9-(1,3-thiazol-2-yl)purin-6-amine.

Molecular Properties

Compound Name9-(1,3-thiazol-2-yl)purin-6-amine
PubChem CID57204546
Molecular FormulaC8H6N6S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name9-(1,3-thiazol-2-yl)purin-6-amine
SMILESNc1ncnc2c1ncn2-c1nccs1
InChIInChI=1S/C8H6N6S/c9-6-5-7(12-3-11-6)14(4-13-5)8-10-1-2-15-8/h1-4H,(H2,9,11,12)
InChIKeyKJVJQPBTCQKPNO-UHFFFAOYSA-N
XLogP0.85
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9H-Purin-6-amine, 8-(4-thiazolyl)-
CID 3007767
5-cyclopropyl-3-[[(3R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70682561
4-(7H-purin-8-yl)-1,3-thiazole
CID 12418007
2-[6-(4-Ethylpiperazin-1-yl)purin-9-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 164609870
2-(6-Piperazin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 164612798
2-(6-Pyrrolidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 164613611
2-(6-Piperidin-1-ylpurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 164619516
2-[6-(4-Butylpiperazin-1-yl)purin-9-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 164619796
2-[6-(4-Prop-2-enylpiperazin-1-yl)purin-9-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 164624886
2-(6-Chloropurin-9-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 164627696
9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
CID 164513208
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
CID 164513222

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-thiazol-2-yl)purin-6-amine?
The IUPAC name of 9-(1,3-thiazol-2-yl)purin-6-amine (CID 57204546) is 9-(1,3-thiazol-2-yl)purin-6-amine.
What is the SMILES notation for 9-(1,3-thiazol-2-yl)purin-6-amine?
The canonical SMILES for 9-(1,3-thiazol-2-yl)purin-6-amine is Nc1ncnc2c1ncn2-c1nccs1.
What is the InChIKey of 9-(1,3-thiazol-2-yl)purin-6-amine?
The InChIKey is KJVJQPBTCQKPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S/c9-6-5-7(12-3-11-6)14(4-13-5)8-10-1-2-15-8/h1-4H,(H2,9,11,12).
What are the key properties of 9-(1,3-thiazol-2-yl)purin-6-amine?
9-(1,3-thiazol-2-yl)purin-6-amine has a molecular weight of 218.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-thiazol-2-yl)purin-6-amine is sourced from PubChem (CID 57204546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).