N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H12Cl2FN3O2S — CID 135411657

IUPACN-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2cccc(F)c2)NC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2FN3O2S/c18-9-4-5-12(19)13(6-9)22-15(24)8-14-16(25)23-17(26-14)21-11-3-1-2-10(20)7-11/h1-7,14H,8H2,(H,22,24)(H,21,23,25)
InChIKeyPNBBTGCZBOUVFZ-UHFFFAOYSA-N
MW412.27 g/mol
LogP4.38
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135411657) has the molecular formula C17H12Cl2FN3O2S and a molecular weight of 412.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135411657
Molecular FormulaC17H12Cl2FN3O2S
Molecular Weight412.27 g/mol
Exact Mass411.00
IUPAC NameN-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2cccc(F)c2)NC1=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2FN3O2S/c18-9-4-5-12(19)13(6-9)22-15(24)8-14-16(25)23-17(26-14)21-11-3-1-2-10(20)7-11/h1-7,14H,8H2,(H,22,24)(H,21,23,25)
InChIKeyPNBBTGCZBOUVFZ-UHFFFAOYSA-N
XLogP4.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135411657) is N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2cccc(F)c2)NC1=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is PNBBTGCZBOUVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2S/c18-9-4-5-12(19)13(6-9)22-15(24)8-14-16(25)23-17(26-14)21-11-3-1-2-10(20)7-11/h1-7,14H,8H2,(H,22,24)(H,21,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 412.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[2-(3-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135411657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).