5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

C11H7ClN4S2 — CID 66758452

IUPAC5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESNc1nc2sc(-c3ccc(Cl)cc3)nc2c(=S)[nH]1
InChIInChI=1S/C11H7ClN4S2/c12-6-3-1-5(2-4-6)9-14-7-8(17)15-11(13)16-10(7)18-9/h1-4H,(H3,13,15,16,17)
InChIKeyZLWYNENBUKZPMJ-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.65
Rot. Bonds1

About 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (PubChem CID 66758452) has the molecular formula C11H7ClN4S2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.

Molecular Properties

Compound Name5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
PubChem CID66758452
Molecular FormulaC11H7ClN4S2
Molecular Weight294.79 g/mol
Exact Mass293.98
IUPAC Name5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESNc1nc2sc(-c3ccc(Cl)cc3)nc2c(=S)[nH]1
InChIInChI=1S/C11H7ClN4S2/c12-6-3-1-5(2-4-6)9-14-7-8(17)15-11(13)16-10(7)18-9/h1-4H,(H3,13,15,16,17)
InChIKeyZLWYNENBUKZPMJ-UHFFFAOYSA-N
XLogP3.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione 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 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The IUPAC name of 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (CID 66758452) is 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.
What is the SMILES notation for 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The canonical SMILES for 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is Nc1nc2sc(-c3ccc(Cl)cc3)nc2c(=S)[nH]1.
What is the InChIKey of 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The InChIKey is ZLWYNENBUKZPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4S2/c12-6-3-1-5(2-4-6)9-14-7-8(17)15-11(13)16-10(7)18-9/h1-4H,(H3,13,15,16,17).
What are the key properties of 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione has a molecular weight of 294.79 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chlorophenyl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is sourced from PubChem (CID 66758452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).