8-(1,3-thiazol-4-yl)-7H-purin-6-amine

C8H6N6S — CID 3007767

IUPAC8-(1,3-thiazol-4-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3cscn3)[nH]c12
InChIInChI=1S/C8H6N6S/c9-6-5-8(11-2-10-6)14-7(13-5)4-1-15-3-12-4/h1-3H,(H3,9,10,11,13,14)
InChIKeyWIUSWBSDLSUCNF-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.06
Rot. Bonds1

About 8-(1,3-thiazol-4-yl)-7H-purin-6-amine

8-(1,3-thiazol-4-yl)-7H-purin-6-amine (PubChem CID 3007767) has the molecular formula C8H6N6S and a molecular weight of 218.25 g/mol. Its IUPAC name is 8-(1,3-thiazol-4-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(1,3-thiazol-4-yl)-7H-purin-6-amine
PubChem CID3007767
Molecular FormulaC8H6N6S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name8-(1,3-thiazol-4-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3cscn3)[nH]c12
InChIInChI=1S/C8H6N6S/c9-6-5-8(11-2-10-6)14-7(13-5)4-1-15-3-12-4/h1-3H,(H3,9,10,11,13,14)
InChIKeyWIUSWBSDLSUCNF-UHFFFAOYSA-N
XLogP1.06
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-4-yl)-7H-purin-6-amine?
The IUPAC name of 8-(1,3-thiazol-4-yl)-7H-purin-6-amine (CID 3007767) is 8-(1,3-thiazol-4-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(1,3-thiazol-4-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(1,3-thiazol-4-yl)-7H-purin-6-amine is Nc1ncnc2nc(-c3cscn3)[nH]c12.
What is the InChIKey of 8-(1,3-thiazol-4-yl)-7H-purin-6-amine?
The InChIKey is WIUSWBSDLSUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S/c9-6-5-8(11-2-10-6)14-7(13-5)4-1-15-3-12-4/h1-3H,(H3,9,10,11,13,14).
What are the key properties of 8-(1,3-thiazol-4-yl)-7H-purin-6-amine?
8-(1,3-thiazol-4-yl)-7H-purin-6-amine has a molecular weight of 218.25 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-4-yl)-7H-purin-6-amine is sourced from PubChem (CID 3007767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).