N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide

C18H14ClN3O2S — CID 135620566

IUPACN-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-11(23)20-14-7-5-12(6-8-14)9-16-17(24)22-18(25-16)21-15-4-2-3-13(19)10-15/h2-10H,1H3,(H,20,23)(H,21,22,24)/b16-9+
InChIKeyYLQQWFPWSYILJE-CXUHLZMHSA-N
MW371.85 g/mol
LogP4.19
Rot. Bonds3

About N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide

N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide (PubChem CID 135620566) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
PubChem CID135620566
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1
InChIInChI=1S/C18H14ClN3O2S/c1-11(23)20-14-7-5-12(6-8-14)9-16-17(24)22-18(25-16)21-15-4-2-3-13(19)10-15/h2-10H,1H3,(H,20,23)(H,21,22,24)/b16-9+
InChIKeyYLQQWFPWSYILJE-CXUHLZMHSA-N
XLogP4.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide (CID 135620566) is N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1.
What is the InChIKey of N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?
The InChIKey is YLQQWFPWSYILJE-CXUHLZMHSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-11(23)20-14-7-5-12(6-8-14)9-16-17(24)22-18(25-16)21-15-4-2-3-13(19)10-15/h2-10H,1H3,(H,20,23)(H,21,22,24)/b16-9+.
What are the key properties of N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide?
N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide has a molecular weight of 371.85 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 135620566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).