ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate

C15H18N4O5S — CID 6391369

IUPACethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate
SMILESC=CCN1C(=O)C(CC(=O)OC)S/C1=N\c1nc[nH]c1C(=O)OCC
InChIInChI=1S/C15H18N4O5S/c1-4-6-19-13(21)9(7-10(20)23-3)25-15(19)18-12-11(16-8-17-12)14(22)24-5-2/h4,8-9H,1,5-7H2,2-3H3,(H,16,17)/b18-15-
InChIKeyWLJIYCXYRXVLGX-SDXDJHTJSA-N
MW366.40 g/mol
LogP1.27
Rot. Bonds7

About ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate

ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate (PubChem CID 6391369) has the molecular formula C15H18N4O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate
PubChem CID6391369
Molecular FormulaC15H18N4O5S
Molecular Weight366.40 g/mol
Exact Mass366.10
IUPAC Nameethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate
SMILESC=CCN1C(=O)C(CC(=O)OC)S/C1=N\c1nc[nH]c1C(=O)OCC
InChIInChI=1S/C15H18N4O5S/c1-4-6-19-13(21)9(7-10(20)23-3)25-15(19)18-12-11(16-8-17-12)14(22)24-5-2/h4,8-9H,1,5-7H2,2-3H3,(H,16,17)/b18-15-
InChIKeyWLJIYCXYRXVLGX-SDXDJHTJSA-N
XLogP1.27
TPSA113.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate (CID 6391369) is ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate is C=CCN1C(=O)C(CC(=O)OC)S/C1=N\c1nc[nH]c1C(=O)OCC.
What is the InChIKey of ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate?
The InChIKey is WLJIYCXYRXVLGX-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H18N4O5S/c1-4-6-19-13(21)9(7-10(20)23-3)25-15(19)18-12-11(16-8-17-12)14(22)24-5-2/h4,8-9H,1,5-7H2,2-3H3,(H,16,17)/b18-15-.
What are the key properties of ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate?
ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(Z)-[5-(2-methoxy-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 6391369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).