(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione

C15H18N2O4S — CID 6511153

IUPAC(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
SMILESCCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O
InChIInChI=1S/C15H18N2O4S/c1-2-5-17-14(18)12(22-15(17)19)10-11-3-4-13(21-11)16-6-8-20-9-7-16/h3-4,10H,2,5-9H2,1H3/b12-10-
InChIKeyIRHKVEQLGNPGCY-BENRWUELSA-N
MW322.39 g/mol
LogP2.56
Rot. Bonds4

About (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione (PubChem CID 6511153) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
PubChem CID6511153
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
SMILESCCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O
InChIInChI=1S/C15H18N2O4S/c1-2-5-17-14(18)12(22-15(17)19)10-11-3-4-13(21-11)16-6-8-20-9-7-16/h3-4,10H,2,5-9H2,1H3/b12-10-
InChIKeyIRHKVEQLGNPGCY-BENRWUELSA-N
XLogP2.56
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione (CID 6511153) is (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione is CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O.
What is the InChIKey of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione?
The InChIKey is IRHKVEQLGNPGCY-BENRWUELSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-2-5-17-14(18)12(22-15(17)19)10-11-3-4-13(21-11)16-6-8-20-9-7-16/h3-4,10H,2,5-9H2,1H3/b12-10-.
What are the key properties of (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione has a molecular weight of 322.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6511153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).