(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide

C15H15Cl2N3O4S — CID 135457050

IUPAC(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)/C=C1\S/C(=N\c2c(Cl)cccc2Cl)NC1=O)OC
InChIInChI=1S/C15H15Cl2N3O4S/c1-23-12(24-2)7-18-11(21)6-10-14(22)20-15(25-10)19-13-8(16)4-3-5-9(13)17/h3-6,12H,7H2,1-2H3,(H,18,21)(H,19,20,22)/b10-6-
InChIKeyRYDPBGLNOQSTQW-POHAHGRESA-N
MW404.28 g/mol
LogP2.46
Rot. Bonds6

About (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide

(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 135457050) has the molecular formula C15H15Cl2N3O4S and a molecular weight of 404.28 g/mol. Its IUPAC name is (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide
PubChem CID135457050
Molecular FormulaC15H15Cl2N3O4S
Molecular Weight404.28 g/mol
Exact Mass403.02
IUPAC Name(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)/C=C1\S/C(=N\c2c(Cl)cccc2Cl)NC1=O)OC
InChIInChI=1S/C15H15Cl2N3O4S/c1-23-12(24-2)7-18-11(21)6-10-14(22)20-15(25-10)19-13-8(16)4-3-5-9(13)17/h3-6,12H,7H2,1-2H3,(H,18,21)(H,19,20,22)/b10-6-
InChIKeyRYDPBGLNOQSTQW-POHAHGRESA-N
XLogP2.46
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 3611840
(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-methylacetamide;(1E,3Z,5Z)-1-ethoxycycloocta-1,3,5-triene
CID 142246617
(5Z)-2-(2,6-dichlorophenyl)imino-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidin-4-one
CID 135443319
2-(2,6-dichlorophenyl)imino-5-[2-(4-ethylpiperazin-1-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 136649356
(2Z)-2-[2-(2-chloro-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(cyclopropylmethyl)-N-propylacetamide
CID 142246636
5-[(4-amino-3-hydroxyphenyl)methylidene]-2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 136600364
ethyl 6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylate
CID 136509892
methyl 2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 135484675
methyl 4-[[2-[2-chloro-5-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135523065
methyl 4-[(Z)-[2-[2-chloro-5-(trifluoromethyl)phenyl]imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135844591
N'-(2,6-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530058
ethyl 4-chloro-6-[[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]quinoline-3-carboxylate
CID 136642235

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide (CID 135457050) is (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide is COC(CNC(=O)/C=C1\S/C(=N\c2c(Cl)cccc2Cl)NC1=O)OC.
What is the InChIKey of (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is RYDPBGLNOQSTQW-POHAHGRESA-N. The full InChI is InChI=1S/C15H15Cl2N3O4S/c1-23-12(24-2)7-18-11(21)6-10-14(22)20-15(25-10)19-13-8(16)4-3-5-9(13)17/h3-6,12H,7H2,1-2H3,(H,18,21)(H,19,20,22)/b10-6-.
What are the key properties of (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide?
(2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 404.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(2,6-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 135457050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).