(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

C19H17ClN2O3S — CID 137059505

IUPAC(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)c1O
InChIInChI=1S/C19H17ClN2O3S/c1-3-25-15-9-4-6-12(17(15)23)10-16-18(24)22-19(26-16)21-14-8-5-7-13(20)11(14)2/h4-10,23H,3H2,1-2H3,(H,21,22,24)/b16-10+
InChIKeyAKEJPMWCLYMBOY-MHWRWJLKSA-N
MW388.88 g/mol
LogP4.64
Rot. Bonds4

About (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137059505) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137059505
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCCOc1cccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)c1O
InChIInChI=1S/C19H17ClN2O3S/c1-3-25-15-9-4-6-12(17(15)23)10-16-18(24)22-19(26-16)21-14-8-5-7-13(20)11(14)2/h4-10,23H,3H2,1-2H3,(H,21,22,24)/b16-10+
InChIKeyAKEJPMWCLYMBOY-MHWRWJLKSA-N
XLogP4.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761053
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137129140
2-(3-chloro-2-methylphenyl)imino-5-[(2-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135504855
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(4-ethoxy-3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135435666
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135708558
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137136444
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064817
(5E)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137050334
2-[2-chloro-4-[(E)-[2-(3-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 137077320
ethyl 2-[4-[(Z)-[2-(3-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 137064803
ethyl 2-[4-[(E)-[2-(3-chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 137129012
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137018025

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 137059505) is (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCOc1cccc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)c1O.
What is the InChIKey of (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AKEJPMWCLYMBOY-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-3-25-15-9-4-6-12(17(15)23)10-16-18(24)22-19(26-16)21-14-8-5-7-13(20)11(14)2/h4-10,23H,3H2,1-2H3,(H,21,22,24)/b16-10+.
What are the key properties of (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 388.88 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-chloro-2-methylphenyl)imino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137059505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).