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

C11H9ClFN3O2S — CID 140511243

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)c(Cl)c2)S1
InChIInChI=1S/C11H9ClFN3O2S/c12-6-3-5(1-2-7(6)13)15-9(17)4-8-10(18)16-11(14)19-8/h1-3,8H,4H2,(H,15,17)(H2,14,16,18)
InChIKeyJMGDPHWYZVVOMF-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.97
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 140511243) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID140511243
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILES[H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)c(Cl)c2)S1
InChIInChI=1S/C11H9ClFN3O2S/c12-6-3-5(1-2-7(6)13)15-9(17)4-8-10(18)16-11(14)19-8/h1-3,8H,4H2,(H,15,17)(H2,14,16,18)
InChIKeyJMGDPHWYZVVOMF-UHFFFAOYSA-N
XLogP1.97
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 137318984
N-(3,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 171128042
N-(2,5-dichlorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 138376746
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 138376642
N-(3-ethynylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 140511238
N-(3-chloro-4-fluorophenyl)-2-[(5S)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704947
N-(3-chloro-4-fluorophenyl)-2-[(5R)-2-(3-fluoro-4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704948
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 138376647
N-(4,5-dimethylthiophen-2-yl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 175905532
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224
N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(3-chloro-4-fluorophenyl)-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 2109477

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 140511243) is N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is [H]/N=C1\NC(=O)C(CC(=O)Nc2ccc(F)c(Cl)c2)S1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JMGDPHWYZVVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c12-6-3-5(1-2-7(6)13)15-9(17)4-8-10(18)16-11(14)19-8/h1-3,8H,4H2,(H,15,17)(H2,14,16,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 301.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 140511243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).