3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one

C9H12N2O2S — CID 82508445

IUPAC3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one
SMILESNCc1occc1CN1CCSC1=O
InChIInChI=1S/C9H12N2O2S/c10-5-8-7(1-3-13-8)6-11-2-4-14-9(11)12/h1,3H,2,4-6,10H2
InChIKeyNGTFTTDFJRPHIE-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.41
Rot. Bonds3

About 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one

3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one (PubChem CID 82508445) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one
PubChem CID82508445
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one
SMILESNCc1occc1CN1CCSC1=O
InChIInChI=1S/C9H12N2O2S/c10-5-8-7(1-3-13-8)6-11-2-4-14-9(11)12/h1,3H,2,4-6,10H2
InChIKeyNGTFTTDFJRPHIE-UHFFFAOYSA-N
XLogP1.41
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one (CID 82508445) is 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one is NCc1occc1CN1CCSC1=O.
What is the InChIKey of 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one?
The InChIKey is NGTFTTDFJRPHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-5-8-7(1-3-13-8)6-11-2-4-14-9(11)12/h1,3H,2,4-6,10H2.
What are the key properties of 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one?
3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one has a molecular weight of 212.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)furan-3-yl]methyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 82508445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).