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

C13H9BrN4S — CID 674355

IUPAC(7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine
SMILESBrc1ccc([C@H]2CSc3c4ncnc-4ncn32)cc1
InChIInChI=1S/C13H9BrN4S/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/t10-/m1/s1
InChIKeyUPHWMGIYFVPLPH-SNVBAGLBSA-N
MW333.21 g/mol
LogP3.24
Rot. Bonds1

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

(7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine (PubChem CID 674355) has the molecular formula C13H9BrN4S and a molecular weight of 333.21 g/mol. Its IUPAC name is (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine.

Molecular Properties

Compound Name(7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine
PubChem CID674355
Molecular FormulaC13H9BrN4S
Molecular Weight333.21 g/mol
Exact Mass331.97
IUPAC Name(7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine
SMILESBrc1ccc([C@H]2CSc3c4ncnc-4ncn32)cc1
InChIInChI=1S/C13H9BrN4S/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/t10-/m1/s1
InChIKeyUPHWMGIYFVPLPH-SNVBAGLBSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
The IUPAC name of (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine (CID 674355) is (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine.
What is the SMILES notation for (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
The canonical SMILES for (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine is Brc1ccc([C@H]2CSc3c4ncnc-4ncn32)cc1.
What is the InChIKey of (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
The InChIKey is UPHWMGIYFVPLPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H9BrN4S/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/t10-/m1/s1.
What are the key properties of (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine?
(7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine has a molecular weight of 333.21 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-bromophenyl)-7,8-dihydro-[1,3]thiazolo[2,3-f]purine is sourced from PubChem (CID 674355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).