7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine

C13H9ClN4S — CID 3782683

IUPAC7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine
SMILESClc1ccc(C2CSc3c4ncnc-4ncn32)cc1
InChIInChI=1S/C13H9ClN4S/c14-9-3-1-8(2-4-9)10-5-19-13-11-12(16-6-15-11)17-7-18(10)13/h1-4,6-7,10H,5H2
InChIKeyQGTALEBYVBRVQE-UHFFFAOYSA-N
MW288.76 g/mol
LogP3.13
Rot. Bonds1

About 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine

7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine (PubChem CID 3782683) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine
PubChem CID3782683
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC Name7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine
SMILESClc1ccc(C2CSc3c4ncnc-4ncn32)cc1
InChIInChI=1S/C13H9ClN4S/c14-9-3-1-8(2-4-9)10-5-19-13-11-12(16-6-15-11)17-7-18(10)13/h1-4,6-7,10H,5H2
InChIKeyQGTALEBYVBRVQE-UHFFFAOYSA-N
XLogP3.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-6-(benzylthio)-9H-purin-2-amine
CID 238161
9-Benzyl-6-phenylsulfanylpurine
CID 11347708
4-chlorobenzyl 7H-purin-6-yl sulfide
CID 675294
9-(4-Chloro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-purine
CID 11464060
6-[2-(4-chlorophenyl)ethylsulfanyl]-7H-purine
CID 151561571
9-Butyl-6-((2-chlorobenzyl)thio)-9H-purin-2-amine
CID 238160
6-((4-chlorobenzyl)thio)-9-propyl-9H-purin-2-amine
CID 238856
6-((4-Chlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine
CID 238857
6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine
CID 240896
6-(benzylsulfanyl)-9-cyclohexyl-9H-purin-2-amine
CID 244997
9H-Purine, 6-(benzylthio)-9-(2-chloroethyl)-
CID 246230
9H-Purine, 6-(o-chlorobenzylthio)-9-(2-chloroethyl)-
CID 246231

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
The IUPAC name of 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine (CID 3782683) is 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine.
What is the SMILES notation for 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
The canonical SMILES for 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine is Clc1ccc(C2CSc3c4ncnc-4ncn32)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
The InChIKey is QGTALEBYVBRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-9-3-1-8(2-4-9)10-5-19-13-11-12(16-6-15-11)17-7-18(10)13/h1-4,6-7,10H,5H2.
What are the key properties of 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine has a molecular weight of 288.76 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine is sourced from PubChem (CID 3782683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).