3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one

C12H14N2O2S — CID 121015318

IUPAC3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1CCCO
InChIInChI=1S/C12H14N2O2S/c15-8-4-7-14-11(16)9-17-12(14)13-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2/b13-12-
InChIKeyHZHHOZSGCBZGPD-SEYXRHQNSA-N
MW250.32 g/mol
LogP1.63
Rot. Bonds4

About 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one

3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 121015318) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID121015318
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1CCCO
InChIInChI=1S/C12H14N2O2S/c15-8-4-7-14-11(16)9-17-12(14)13-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2/b13-12-
InChIKeyHZHHOZSGCBZGPD-SEYXRHQNSA-N
XLogP1.63
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 121015318) is 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is HZHHOZSGCBZGPD-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-8-4-7-14-11(16)9-17-12(14)13-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2/b13-12-.
What are the key properties of 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one?
3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 250.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 121015318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).