2-(7H-purin-8-yl)-1,3-thiazole

C8H5N5S — CID 67998499

IUPAC2-(7H-purin-8-yl)-1,3-thiazole
SMILESc1csc(-c2nc3ncncc3[nH]2)n1
InChIInChI=1S/C8H5N5S/c1-2-14-8(10-1)7-12-5-3-9-4-11-6(5)13-7/h1-4H,(H,9,11,12,13)
InChIKeyHBTARXJIYHBGGO-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.48
Rot. Bonds1

About 2-(7H-purin-8-yl)-1,3-thiazole

2-(7H-purin-8-yl)-1,3-thiazole (PubChem CID 67998499) has the molecular formula C8H5N5S and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-(7H-purin-8-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(7H-purin-8-yl)-1,3-thiazole
PubChem CID67998499
Molecular FormulaC8H5N5S
Molecular Weight203.23 g/mol
Exact Mass203.03
IUPAC Name2-(7H-purin-8-yl)-1,3-thiazole
SMILESc1csc(-c2nc3ncncc3[nH]2)n1
InChIInChI=1S/C8H5N5S/c1-2-14-8(10-1)7-12-5-3-9-4-11-6(5)13-7/h1-4H,(H,9,11,12,13)
InChIKeyHBTARXJIYHBGGO-UHFFFAOYSA-N
XLogP1.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-8-yl)-1,3-thiazole?
The IUPAC name of 2-(7H-purin-8-yl)-1,3-thiazole (CID 67998499) is 2-(7H-purin-8-yl)-1,3-thiazole.
What is the SMILES notation for 2-(7H-purin-8-yl)-1,3-thiazole?
The canonical SMILES for 2-(7H-purin-8-yl)-1,3-thiazole is c1csc(-c2nc3ncncc3[nH]2)n1.
What is the InChIKey of 2-(7H-purin-8-yl)-1,3-thiazole?
The InChIKey is HBTARXJIYHBGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5S/c1-2-14-8(10-1)7-12-5-3-9-4-11-6(5)13-7/h1-4H,(H,9,11,12,13).
What are the key properties of 2-(7H-purin-8-yl)-1,3-thiazole?
2-(7H-purin-8-yl)-1,3-thiazole has a molecular weight of 203.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-8-yl)-1,3-thiazole is sourced from PubChem (CID 67998499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).