5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C15H14Cl2N4O2S — CID 110382171

About 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382171) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 110382171
• Molecular Formula: C15H14Cl2N4O2S
• Molecular Weight: 385.28 g/mol
• Exact Mass: 384.02
• IUPAC Name: 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Oc1c(C(c2ccc(Cl)c(Cl)c2)N2CCOCC2)sc2ncnn12
• InChI: InChI=1S/C15H14Cl2N4O2S/c16-10-2-1-9(7-11(10)17)12(20-3-5-23-6-4-20)13-14(22)21-15(24-13)18-8-19-21/h1-2,7-8,12,22H,3-6H2
• InChIKey: YXJBDBSHGATALY-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 62.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.28
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382171) is 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c(C(c2ccc(Cl)c(Cl)c2)N2CCOCC2)sc2ncnn12.

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

The InChIKey is YXJBDBSHGATALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/c16-10-2-1-9(7-11(10)17)12(20-3-5-23-6-4-20)13-14(22)21-15(24-13)18-8-19-21/h1-2,7-8,12,22H,3-6H2.

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

5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 385.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).