(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C10H10N2O2S2 — CID 2333482

IUPAC(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESC1=CSC(=C1)/C=C/2\C(=O)N(C(=O)S2)CCN
InChIInChI=1S/C10H10N2O2S2/c11-3-4-12-9(13)8(16-10(12)14)6-7-2-1-5-15-7/h1-2,5-6H,3-4,11H2/b8-6+
InChIKeyOIWQNIDSQBDLEN-SOFGYWHQSA-N
MW254.30 g/mol
LogP1.20
Rot. Bonds3

About (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 2333482) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.30 g/mol. Its IUPAC name is (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID2333482
Molecular FormulaC10H10N2O2S2
Molecular Weight254.30 g/mol
Exact Mass254.02
IUPAC Name(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESC1=CSC(=C1)/C=C/2\C(=O)N(C(=O)S2)CCN
InChIInChI=1S/C10H10N2O2S2/c11-3-4-12-9(13)8(16-10(12)14)6-7-2-1-5-15-7/h1-2,5-6H,3-4,11H2/b8-6+
InChIKeyOIWQNIDSQBDLEN-SOFGYWHQSA-N
XLogP1.20
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity344

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 2333482) is (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is C1=CSC(=C1)/C=C/2\C(=O)N(C(=O)S2)CCN.
What is the InChIKey of (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is OIWQNIDSQBDLEN-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c11-3-4-12-9(13)8(16-10(12)14)6-7-2-1-5-15-7/h1-2,5-6H,3-4,11H2/b8-6+.
What are the key properties of (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 254.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-aminoethyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2333482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).