7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine

C22H20FN5O3S2 — CID 1462125

IUPAC7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCN(S(=O)(=O)c5ccccc5F)CC4)ncnc23)cc1
InChIInChI=1S/C22H20FN5O3S2/c1-31-16-8-6-15(7-9-16)19-20-21(32-26-19)22(25-14-24-20)27-10-12-28(13-11-27)33(29,30)18-5-3-2-4-17(18)23/h2-9,14H,10-13H2,1H3
InChIKeyPJYCVMUMCCKMJY-UHFFFAOYSA-N
MW485.57 g/mol
LogP3.41
Rot. Bonds5

About 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine

7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 1462125) has the molecular formula C22H20FN5O3S2 and a molecular weight of 485.57 g/mol. Its IUPAC name is 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID1462125
Molecular FormulaC22H20FN5O3S2
Molecular Weight485.57 g/mol
Exact Mass485.10
IUPAC Name7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCN(S(=O)(=O)c5ccccc5F)CC4)ncnc23)cc1
InChIInChI=1S/C22H20FN5O3S2/c1-31-16-8-6-15(7-9-16)19-20-21(32-26-19)22(25-14-24-20)27-10-12-28(13-11-27)33(29,30)18-5-3-2-4-17(18)23/h2-9,14H,10-13H2,1H3
InChIKeyPJYCVMUMCCKMJY-UHFFFAOYSA-N
XLogP3.41
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine 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 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine (CID 1462125) is 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine is COc1ccc(-c2nsc3c(N4CCN(S(=O)(=O)c5ccccc5F)CC4)ncnc23)cc1.
What is the InChIKey of 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is PJYCVMUMCCKMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3S2/c1-31-16-8-6-15(7-9-16)19-20-21(32-26-19)22(25-14-24-20)27-10-12-28(13-11-27)33(29,30)18-5-3-2-4-17(18)23/h2-9,14H,10-13H2,1H3.
What are the key properties of 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine?
7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 485.57 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 1462125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).