N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

C19H15N3O3S — CID 135873603

IUPACN-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESO=C1N/C(=N\NC(=O)c2ccccc2)S/C1=C\c1ccc2c(c1)CCO2
InChIInChI=1S/C19H15N3O3S/c23-17(13-4-2-1-3-5-13)21-22-19-20-18(24)16(26-19)11-12-6-7-15-14(10-12)8-9-25-15/h1-7,10-11H,8-9H2,(H,21,23)(H,20,22,24)/b16-11-
InChIKeyKAPWTUNBBNKNKW-WJDWOHSUSA-N
MW365.41 g/mol
LogP2.53
Rot. Bonds3

About N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (PubChem CID 135873603) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
PubChem CID135873603
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESO=C1N/C(=N\NC(=O)c2ccccc2)S/C1=C\c1ccc2c(c1)CCO2
InChIInChI=1S/C19H15N3O3S/c23-17(13-4-2-1-3-5-13)21-22-19-20-18(24)16(26-19)11-12-6-7-15-14(10-12)8-9-25-15/h1-7,10-11H,8-9H2,(H,21,23)(H,20,22,24)/b16-11-
InChIKeyKAPWTUNBBNKNKW-WJDWOHSUSA-N
XLogP2.53
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-benzylimino-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidin-4-one
CID 137216334
(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 11557830
5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-2-[3-(dimethylamino)propylimino]-1,3-thiazolidin-4-one
CID 136654541
[(E)-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
CID 135601476
4-[[[(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]methyl]benzenesulfonamide
CID 137216324
4-methoxy-N-[(E)-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135621814
N-[(E)-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 136522661
N-[(E)-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]pyridine-4-carboxamide
CID 135445084
N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 38206239
3-[(E)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135723087
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135603036
(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137081113

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The IUPAC name of N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (CID 135873603) is N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.
What is the SMILES notation for N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The canonical SMILES for N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is O=C1N/C(=N\NC(=O)c2ccccc2)S/C1=C\c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The InChIKey is KAPWTUNBBNKNKW-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-17(13-4-2-1-3-5-13)21-22-19-20-18(24)16(26-19)11-12-6-7-15-14(10-12)8-9-25-15/h1-7,10-11H,8-9H2,(H,21,23)(H,20,22,24)/b16-11-.
What are the key properties of N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide has a molecular weight of 365.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(5Z)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is sourced from PubChem (CID 135873603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).