5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C23H24ClN5OS — CID 30483574

About 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 30483574) has the molecular formula C23H24ClN5OS and a molecular weight of 454.00 g/mol. Its IUPAC name is 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 30483574
• Molecular Formula: C23H24ClN5OS
• Molecular Weight: 454.00 g/mol
• Exact Mass: 453.14
• IUPAC Name: 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3cccc(Cl)c3)CC2)c1
• InChI: InChI=1S/C23H24ClN5OS/c1-15-5-3-6-17(13-15)20(21-22(30)29-23(31-21)25-16(2)26-29)28-11-9-27(10-12-28)19-8-4-7-18(24)14-19/h3-8,13-14,20,30H,9-12H2,1-2H3/t20-/m1/s1
• InChIKey: HGQUKNXDAPNFOC-HXUWFJFHSA-N
• XLogP: 4.68
• TPSA: 56.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.00
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 30483574) is 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(c3cccc(Cl)c3)CC2)c1.

What is the InChIKey of 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is HGQUKNXDAPNFOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24ClN5OS/c1-15-5-3-6-17(13-15)20(21-22(30)29-23(31-21)25-16(2)26-29)28-11-9-27(10-12-28)19-8-4-7-18(24)14-19/h3-8,13-14,20,30H,9-12H2,1-2H3/t20-/m1/s1.

What are the key properties of 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 454.00 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 30483574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).