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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Related Compounds

8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
8-thiophen-3-yl-7H-purine
CID 114402602
4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
CID 114402555
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
CID 103402885
2-(1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,3-thiazole
CID 67306726
4-(7H-purin-8-yl)pyridin-2-amine
CID 114402124
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
8-(3-pyridin-2-ylphenyl)-7H-purine
CID 167771845
4-(7H-purin-8-yl)oxadiazole
CID 154350070
8-(5-bromo-3-pyridinyl)-7H-purine
CID 114402746
methyl 4-chloro-5-(7H-purin-8-yl)thiophene-3-carboxylate
CID 167917296

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).