3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one

C10H9ClN2OS — CID 1239269

IUPAC3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-6-2-3-7(4-8(6)11)13-9(14)5-15-10(13)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeyVXFJKBRXLQQCIL-BENRWUELSA-N
MW240.72 g/mol
LogP2.66
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one

3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 1239269) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
PubChem CID1239269
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-6-2-3-7(4-8(6)11)13-9(14)5-15-10(13)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeyVXFJKBRXLQQCIL-BENRWUELSA-N
XLogP2.66
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
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 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one (CID 1239269) is 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
The InChIKey is VXFJKBRXLQQCIL-BENRWUELSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-2-3-7(4-8(6)11)13-9(14)5-15-10(13)12/h2-4,12H,5H2,1H3/b12-10-.
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one?
3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1239269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).