(5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

C19H14N2O4S — CID 18836701

IUPAC(5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C19H14N2O4S/c1-13-7-2-4-10-15(13)20-18(22)17(26-19(20)23)12-6-9-14-8-3-5-11-16(14)21(24)25/h2-12H,1H3/b9-6+,17-12-
InChIKeyKSMZUAIERISCTO-NPDFUIFFSA-N
MW366.40 g/mol
LogP4.70
Rot. Bonds4

About (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18836701) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18836701
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name(5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccccc1N1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C19H14N2O4S/c1-13-7-2-4-10-15(13)20-18(22)17(26-19(20)23)12-6-9-14-8-3-5-11-16(14)21(24)25/h2-12H,1H3/b9-6+,17-12-
InChIKeyKSMZUAIERISCTO-NPDFUIFFSA-N
XLogP4.70
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenyl)-5-[3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1420774
methyl 2-[5-[3-(2-nitrophenyl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 1311888
(5Z)-3-(2-methylphenyl)-5-[(2-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836638
(5E)-3-ethyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2257287
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 4320444
(2E,5Z)-3-methyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841798
11-(2-methylphenyl)-5-(2-nitrophenyl)benzo[c][1,5]benzodiazocine-6,12-dione
CID 130450296
(5E)-3-(2-methylphenyl)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18836677
3-cyclohexyl-2-cyclohexylimino-5-[3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 5168295
(2E,5Z)-3-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 18846199
1-(4-methylphenyl)-5-[3-(2-nitrophenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 1353399

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 18836701) is (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is Cc1ccccc1N1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O.
What is the InChIKey of (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KSMZUAIERISCTO-NPDFUIFFSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-13-7-2-4-10-15(13)20-18(22)17(26-19(20)23)12-6-9-14-8-3-5-11-16(14)21(24)25/h2-12H,1H3/b9-6+,17-12-.
What are the key properties of (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 366.40 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methylphenyl)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).