N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide

C18H17N3O2S — CID 6860195

IUPACN-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-13-7-5-6-10-15(13)17(23)19-20-18-21(16(22)12-24-18)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,23)/b20-18+
InChIKeyRKQDESWSWMOKRU-CZIZESTLSA-N
MW339.42 g/mol
LogP2.77
Rot. Bonds4

About N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide

N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide (PubChem CID 6860195) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide
PubChem CID6860195
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C1/SCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17N3O2S/c1-13-7-5-6-10-15(13)17(23)19-20-18-21(16(22)12-24-18)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,23)/b20-18+
InChIKeyRKQDESWSWMOKRU-CZIZESTLSA-N
XLogP2.77
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide?
The IUPAC name of N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide (CID 6860195) is N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C1/SCC(=O)N1Cc1ccccc1.
What is the InChIKey of N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide?
The InChIKey is RKQDESWSWMOKRU-CZIZESTLSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13-7-5-6-10-15(13)17(23)19-20-18-21(16(22)12-24-18)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,23)/b20-18+.
What are the key properties of N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide?
N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide has a molecular weight of 339.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-methylbenzamide is sourced from PubChem (CID 6860195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).