3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one

C17H18N2O2S — CID 557424

IUPAC3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(/N=C2\SCC(=O)N2Cc2ccco2)c(C)c1
InChIInChI=1S/C17H18N2O2S/c1-11-7-12(2)16(13(3)8-11)18-17-19(15(20)10-22-17)9-14-5-4-6-21-14/h4-8H,9-10H2,1-3H3/b18-17-
InChIKeyKVJGUWFBDWLRKA-ZCXUNETKSA-N
MW314.41 g/mol
LogP3.97
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one

3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 557424) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID557424
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(/N=C2\SCC(=O)N2Cc2ccco2)c(C)c1
InChIInChI=1S/C17H18N2O2S/c1-11-7-12(2)16(13(3)8-11)18-17-19(15(20)10-22-17)9-14-5-4-6-21-14/h4-8H,9-10H2,1-3H3/b18-17-
InChIKeyKVJGUWFBDWLRKA-ZCXUNETKSA-N
XLogP3.97
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.97
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-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one (CID 557424) is 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one is Cc1cc(C)c(/N=C2\SCC(=O)N2Cc2ccco2)c(C)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KVJGUWFBDWLRKA-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-7-12(2)16(13(3)8-11)18-17-19(15(20)10-22-17)9-14-5-4-6-21-14/h4-8H,9-10H2,1-3H3/b18-17-.
What are the key properties of 3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one?
3-(furan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 314.41 g/mol, XLogP of 3.97, 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-(2,4,6-trimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 557424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).