(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

C19H17ClN2O2S — CID 9486227

IUPAC(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)N(C)C2=O)c(C)c1
InChIInChI=1S/C19H17ClN2O2S/c1-12-10-14(24-3)9-8-13(12)11-17-18(23)22(2)19(25-17)21-16-7-5-4-6-15(16)20/h4-11H,1-3H3/b17-11+,21-19-
InChIKeyXYNPWJJHRDORIH-SMSCYPBYSA-N
MW372.88 g/mol
LogP4.89
Rot. Bonds3

About (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 9486227) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID9486227
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)N(C)C2=O)c(C)c1
InChIInChI=1S/C19H17ClN2O2S/c1-12-10-14(24-3)9-8-13(12)11-17-18(23)22(2)19(25-17)21-16-7-5-4-6-15(16)20/h4-11H,1-3H3/b17-11+,21-19-
InChIKeyXYNPWJJHRDORIH-SMSCYPBYSA-N
XLogP4.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(2-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9485617
(5E)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(2-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486185
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137022181
(5E)-2-(2-chlorophenyl)imino-5-(5-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methyl-1,3-thiazolidin-4-one
CID 27806630
(5E)-2-(2-chlorophenyl)imino-3-methyl-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556230
2-[3-[(E)-[2-(2-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 9486202
2-(2,5-dimethylphenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 1229104
(5E)-2-(2-chlorophenyl)imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486213
(5Z)-2-(2,6-dimethylphenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 155511004
2-(4-methoxyphenyl)imino-3-methyl-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 1233136
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843712
(5E)-2-(3-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486384

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 9486227) is (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is COc1ccc(/C=C2/S/C(=N\c3ccccc3Cl)N(C)C2=O)c(C)c1.
What is the InChIKey of (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is XYNPWJJHRDORIH-SMSCYPBYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-10-14(24-3)9-8-13(12)11-17-18(23)22(2)19(25-17)21-16-7-5-4-6-15(16)20/h4-11H,1-3H3/b17-11+,21-19-.
What are the key properties of (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 372.88 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-chlorophenyl)imino-5-[(4-methoxy-2-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).