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

C10H9ClN2OS — CID 135468635

IUPAC2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1c(Cl)cccc1/N=C1/NC(=O)CS1
InChIInChI=1S/C10H9ClN2OS/c1-6-7(11)3-2-4-8(6)12-10-13-9(14)5-15-10/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyVYDDPKAARITHFP-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.50
Rot. Bonds1

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

2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135468635) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135468635
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1c(Cl)cccc1/N=C1/NC(=O)CS1
InChIInChI=1S/C10H9ClN2OS/c1-6-7(11)3-2-4-8(6)12-10-13-9(14)5-15-10/h2-4H,5H2,1H3,(H,12,13,14)
InChIKeyVYDDPKAARITHFP-UHFFFAOYSA-N
XLogP2.50
TPSA41.46 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-p-Tolylamino-thiazol-4-one
CID 135411781
2-m-Tolylamino-thiazol-4-one
CID 135415496
5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-((2,4-Dimethylphenyl)amino)-4,5-dihydro-1,3-thiazol-4-one
CID 135415560
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 135433174
2-(2-Chlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989432
2-(2-Chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135999786
S-{2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl} thiocarbamate
CID 671764
(2Z)-2-[(4-chlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135458732
Stk347774
CID 135417096

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135468635) is 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1c(Cl)cccc1/N=C1/NC(=O)CS1.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VYDDPKAARITHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-7(11)3-2-4-8(6)12-10-13-9(14)5-15-10/h2-4H,5H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one?
2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135468635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).