3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one

C14H12N2O2S — CID 1275977

IUPAC3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C14H12N2O2S/c17-13-10-19-14(15-11-5-2-1-3-6-11)16(13)9-12-7-4-8-18-12/h1-8H,9-10H2/b15-14-
InChIKeyUBOSPYLPLDKIRI-PFONDFGASA-N
MW272.33 g/mol
LogP3.04
Rot. Bonds3

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

3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 1275977) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID1275977
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1Cc1ccco1
InChIInChI=1S/C14H12N2O2S/c17-13-10-19-14(15-11-5-2-1-3-6-11)16(13)9-12-7-4-8-18-12/h1-8H,9-10H2/b15-14-
InChIKeyUBOSPYLPLDKIRI-PFONDFGASA-N
XLogP3.04
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
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-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 1275977) is 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is UBOSPYLPLDKIRI-PFONDFGASA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-13-10-19-14(15-11-5-2-1-3-6-11)16(13)9-12-7-4-8-18-12/h1-8H,9-10H2/b15-14-.
What are the key properties of 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one?
3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1275977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).