4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one

C9H8N2O2S — CID 135411567

IUPAC4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N/c2cccc(O)c2)CS1
InChIInChI=1S/C9H8N2O2S/c12-7-3-1-2-6(4-7)10-8-5-14-9(13)11-8/h1-4,12H,5H2,(H,10,11,13)
InChIKeyDPTGGBIVKHHBPN-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.88
Rot. Bonds1

About 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one

4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one (PubChem CID 135411567) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one
PubChem CID135411567
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N/c2cccc(O)c2)CS1
InChIInChI=1S/C9H8N2O2S/c12-7-3-1-2-6(4-7)10-8-5-14-9(13)11-8/h1-4,12H,5H2,(H,10,11,13)
InChIKeyDPTGGBIVKHHBPN-UHFFFAOYSA-N
XLogP1.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
The IUPAC name of 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one (CID 135411567) is 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one is O=C1N/C(=N/c2cccc(O)c2)CS1.
What is the InChIKey of 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
The InChIKey is DPTGGBIVKHHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-7-3-1-2-6(4-7)10-8-5-14-9(13)11-8/h1-4,12H,5H2,(H,10,11,13).
What are the key properties of 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one?
4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135411567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).