(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C17H12ClN3O4S — CID 135411696

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1c(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H12ClN3O4S/c1-25-15-10(5-4-8-13(15)21(23)24)9-14-16(22)20-17(26-14)19-12-7-3-2-6-11(12)18/h2-9H,1H3,(H,19,20,22)/b14-9-
InChIKeyAJZSDZUZDNNHMY-ZROIWOOFSA-N
MW389.82 g/mol
LogP4.15
Rot. Bonds4

About (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135411696) has the molecular formula C17H12ClN3O4S and a molecular weight of 389.82 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135411696
Molecular FormulaC17H12ClN3O4S
Molecular Weight389.82 g/mol
Exact Mass389.02
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1c(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H12ClN3O4S/c1-25-15-10(5-4-8-13(15)21(23)24)9-14-16(22)20-17(26-14)19-12-7-3-2-6-11(12)18/h2-9H,1H3,(H,19,20,22)/b14-9-
InChIKeyAJZSDZUZDNNHMY-ZROIWOOFSA-N
XLogP4.15
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2z,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Nitrobenzylidene)-1,3-Thiazolidin-4-One
CID 135492573
2-(2-Chloro-phenylimino)-5-(2-hydroxy-3-nitro-benzylidene)-thiazolidin-4-one
CID 135411699
2-(2-Chloro-phenylimino)-5-(2-hydroxy-5-nitro-benzylidene)-thiazolidin-4-one
CID 135495773
(5Z)-2-benzylimino-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137287457
(2E,5E)-2-[(2-chlorophenyl)imino]-5-(2-methoxybenzylidene)-1,3-thiazolidin-4-one
CID 135529544
(5E)-2-[(2-chlorophenyl)amino]-5-(3-methoxybenzylidene)-1,3-thiazol-4(5H)-one
CID 135536537
(5E)-2-[(2-chlorophenyl)amino]-5-(4-methoxybenzylidene)-1,3-thiazol-4(5H)-one
CID 135628002
(5E)-2-(2-chloroanilino)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
CID 135444105
(5E)-2-(2-chlorophenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135527977
(5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 156601188
(2Z,5Z)-2-[(2-Chlorophenyl)imino]-5-(2,5-dimethoxybenzylidene)-1,3-thiazolidin-4-one
CID 135508966
2-[2-Chloro-5-(trifluoromethyl)phenyl]imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486744

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135411696) is (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is COc1c(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cccc1[N+](=O)[O-].
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is AJZSDZUZDNNHMY-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H12ClN3O4S/c1-25-15-10(5-4-8-13(15)21(23)24)9-14-16(22)20-17(26-14)19-12-7-3-2-6-11(12)18/h2-9H,1H3,(H,19,20,22)/b14-9-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 389.82 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-[(2-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135411696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).