2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

C10H9ClN2OS — CID 3124118

IUPAC2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyHUKXLPFZLFJNIS-BENRWUELSA-N
MW240.72 g/mol
LogP2.53
Rot. Bonds1

About 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 3124118) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID3124118
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3/b12-10-
InChIKeyHUKXLPFZLFJNIS-BENRWUELSA-N
XLogP2.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-Dichlorophenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1364716
2-[(2-Chlorophenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1377865
2-[(2,3-dichlorophenyl)amino]-1,3-thiazol-4(5H)-one
CID 135495900
2-(2-Chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135999786
(2Z)-2-[(4-chlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135458732
Stk347774
CID 135417096
1-(3-Chlorophenyl)-3-(3-methylthiazolidin-2-ylidene)urea
CID 44408212
2-[(Z)-4-Fluoro-phenylimino]-3-methyl-thiazolidin-4-one
CID 1495114
(2Z)-2-[(2,5-dichlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135491548
4-Thiazolidinone, 2-((3,4-dichlorophenyl)imino)-
CID 135526302
4-Thiazolidinone, 2-((m-chlorophenyl)imino)-
CID 135440923
3-(3-chlorophenyl)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 1241428

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 3124118) is 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)CS/C1=N\c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is HUKXLPFZLFJNIS-BENRWUELSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-13-9(14)6-15-10(13)12-8-4-2-3-7(11)5-8/h2-5H,6H2,1H3/b12-10-.
What are the key properties of 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3124118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).