2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one

C17H13N3O3S2 — CID 135439612

About 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one

2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 135439612) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
• PubChem CID: 135439612
• Molecular Formula: C17H13N3O3S2
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.04
• IUPAC Name: 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
• SMILES: O=C1CSC(c2cccc(O)c2)N1c1nnc(-c2ccccc2O)s1
• InChI: InChI=1S/C17H13N3O3S2/c21-11-5-3-4-10(8-11)16-20(14(23)9-24-16)17-19-18-15(25-17)12-6-1-2-7-13(12)22/h1-8,16,21-22H,9H2
• InChIKey: DJIMFKVKMTYFSW-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 86.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one (CID 135439612) is 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(O)c2)N1c1nnc(-c2ccccc2O)s1.

What is the InChIKey of 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one?

The InChIKey is DJIMFKVKMTYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c21-11-5-3-4-10(8-11)16-20(14(23)9-24-16)17-19-18-15(25-17)12-6-1-2-7-13(12)22/h1-8,16,21-22H,9H2.

What are the key properties of 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one?

2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135439612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).