1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea

C11H10ClN3O2S — CID 135453655

IUPAC1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea
SMILESCC1SC(=NC(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C11H10ClN3O2S/c1-6-9(16)14-11(18-6)15-10(17)13-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKeyIEHUWDYGSVPWTE-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.48
Rot. Bonds1

About 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea

1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea (PubChem CID 135453655) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea
PubChem CID135453655
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea
SMILESCC1SC(=NC(=O)Nc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C11H10ClN3O2S/c1-6-9(16)14-11(18-6)15-10(17)13-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKeyIEHUWDYGSVPWTE-UHFFFAOYSA-N
XLogP2.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea (CID 135453655) is 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea is CC1SC(=NC(=O)Nc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea?
The InChIKey is IEHUWDYGSVPWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-6-9(16)14-11(18-6)15-10(17)13-8-4-2-7(12)3-5-8/h2-6H,1H3,(H2,13,14,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea?
1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea has a molecular weight of 283.74 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)urea is sourced from PubChem (CID 135453655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).