5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H17ClN4O3S — CID 7286550

About 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7286550) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7286550
• Molecular Formula: C19H17ClN4O3S
• Molecular Weight: 416.89 g/mol
• Exact Mass: 416.07
• IUPAC Name: 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Oc1c([C@@H](c2cccc(Cl)c2)N2CCOCC2)sc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C19H17ClN4O3S/c20-13-4-1-3-12(11-13)15(23-6-9-26-10-7-23)16-18(25)24-19(28-16)21-17(22-24)14-5-2-8-27-14/h1-5,8,11,15,25H,6-7,9-10H2/t15-/m1/s1
• InChIKey: WOZMYVHYAVKMKB-OAHLLOKOSA-N
• XLogP: 3.83
• TPSA: 76.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.89
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7286550) is 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c([C@@H](c2cccc(Cl)c2)N2CCOCC2)sc2nc(-c3ccco3)nn12.

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

The InChIKey is WOZMYVHYAVKMKB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c20-13-4-1-3-12(11-13)15(23-6-9-26-10-7-23)16-18(25)24-19(28-16)21-17(22-24)14-5-2-8-27-14/h1-5,8,11,15,25H,6-7,9-10H2/t15-/m1/s1.

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

5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 416.89 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(R)-(3-chlorophenyl)-morpholin-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7286550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).