(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C16H18N2O3S — CID 1210025

IUPAC(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C)C1=O
InChIInChI=1S/C16H18N2O3S/c1-11-9-13(18-5-7-21-8-6-18)4-3-12(11)10-14-15(19)17(2)16(20)22-14/h3-4,9-10H,5-8H2,1-2H3/b14-10-
InChIKeyJBCOAYSZHPRAKG-UVTDQMKNSA-N
MW318.40 g/mol
LogP2.50
Rot. Bonds2

About (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1210025) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1210025
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C)C1=O
InChIInChI=1S/C16H18N2O3S/c1-11-9-13(18-5-7-21-8-6-18)4-3-12(11)10-14-15(19)17(2)16(20)22-14/h3-4,9-10H,5-8H2,1-2H3/b14-10-
InChIKeyJBCOAYSZHPRAKG-UVTDQMKNSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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 (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1210025) is (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C)C1=O.
What is the InChIKey of (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is JBCOAYSZHPRAKG-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-9-13(18-5-7-21-8-6-18)4-3-12(11)10-14-15(19)17(2)16(20)22-14/h3-4,9-10H,5-8H2,1-2H3/b14-10-.
What are the key properties of (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 318.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-[(2-methyl-4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1210025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).