2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one

C12H13ClN2O2S — CID 135989174

IUPAC2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOCC1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C12H13ClN2O2S/c1-12(7-17-2)10(16)15-11(18-12)14-9-6-4-3-5-8(9)13/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyZPAKBZLRVFBZCH-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135989174) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID135989174
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOCC1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C12H13ClN2O2S/c1-12(7-17-2)10(16)15-11(18-12)14-9-6-4-3-5-8(9)13/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyZPAKBZLRVFBZCH-UHFFFAOYSA-N
XLogP2.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Chloroanilino)-5,5-bis(hydroxymethyl)-1,3-thiazol-4-one
CID 135410795
2-(2,4-Dichlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989380
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
Stk347774
CID 135417096
5,5-Bis-hydroxymethyl-2-phenylamino-thiazol-4-one
CID 135445028
2-(2-Chloro-5-fluorophenylimino)thiazolidin-4-one
CID 136059552
2-[(3-Chloro-4-fluorophenyl)azamethylene]-5-methyl-1,3-thiazolidin-4-one
CID 135523634
(5R)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135765995
(5S)-2-(3-chloro-4-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135765996
(2E)-2-[(4-chlorophenyl)imino]-5-methyl-1,3-thiazolidin-4-one
CID 135501352
2-[(2-chlorophenyl)amino]-5-ethyl-1,3-thiazol-4(5H)-one
CID 135414364

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one (CID 135989174) is 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one is COCC1(C)S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZPAKBZLRVFBZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-12(7-17-2)10(16)15-11(18-12)14-9-6-4-3-5-8(9)13/h3-6H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 284.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-(methoxymethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).