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

C17H13N3O2S2 — CID 135419304

IUPAC3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1nnc(-c2ccccc2O)s1
InChIInChI=1S/C17H13N3O2S2/c21-13-9-5-4-8-12(13)15-18-19-17(24-15)20-14(22)10-23-16(20)11-6-2-1-3-7-11/h1-9,16,21H,10H2
InChIKeyHBWZLQMQICBCPB-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.69
Rot. Bonds3

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

3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 135419304) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID135419304
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1nnc(-c2ccccc2O)s1
InChIInChI=1S/C17H13N3O2S2/c21-13-9-5-4-8-12(13)15-18-19-17(24-15)20-14(22)10-23-16(20)11-6-2-1-3-7-11/h1-9,16,21H,10H2
InChIKeyHBWZLQMQICBCPB-UHFFFAOYSA-N
XLogP3.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxyphenyl)-3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 135439612
2-(4-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 10761913
(2S)-2-phenyl-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]-1,3-thiazolidin-4-one
CID 139070224
3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 10524075
2-(2-chlorophenyl)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 24796558
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2R)-3-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 139069698
2-(3-fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
CID 72734685
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
3-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-phenyl-1,3-thiazolidin-2-one
CID 134102173
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one (CID 135419304) is 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1nnc(-c2ccccc2O)s1.
What is the InChIKey of 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is HBWZLQMQICBCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c21-13-9-5-4-8-12(13)15-18-19-17(24-15)20-14(22)10-23-16(20)11-6-2-1-3-7-11/h1-9,16,21H,10H2.
What are the key properties of 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one?
3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135419304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).