(5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione

C16H14N2O2S — CID 43328137

IUPAC(5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H14N2O2S/c17-8-9-18-15(19)14(21-16(18)20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9,17H2/b14-10-
InChIKeyFCSZHKPGQJRTSN-UVTDQMKNSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds3

About (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 43328137) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID43328137
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESNCCN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O
InChIInChI=1S/C16H14N2O2S/c17-8-9-18-15(19)14(21-16(18)20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9,17H2/b14-10-
InChIKeyFCSZHKPGQJRTSN-UVTDQMKNSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 6056260
(5Z)-3-(2-aminoethyl)-5-(3-phenylpropylidene)-1,3-thiazolidine-2,4-dione
CID 49863169
(Z)-N-Hydroxy-2-(5-Naphthalen-1-ylmethylene-2,4-dioxothiazolidin-3-yl)acetamide
CID 44585570
CID 1549831
CID 1549831
3-(2-Aminoethyl)-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1551244
(Z)-5-(Naphthalen-2''-ylmethylene)thiazolidine-2,4-dione
CID 6249565
2,4-Dioxo-5-(naphthylmethylene)-3-thiazol-idineacetic acid
CID 27409435
(3R)-8-cyclopropyl-7-(1-naphthylmethyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyridine-3-carboxamide
CID 44449315
(3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 44449318
2-[(5E)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 76308360
3-(2-Aminoethyl)-5-(phenylmethylidene)-1,3-thiazolidine-2,4-dione hydrochloride
CID 16238882
N-hydroxy-2-[(5Z)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 44585571

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 43328137) is (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione is NCCN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O.
What is the InChIKey of (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is FCSZHKPGQJRTSN-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-8-9-18-15(19)14(21-16(18)20)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10H,8-9,17H2/b14-10-.
What are the key properties of (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-aminoethyl)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43328137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).