(5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

C10H6BrClN2O2S — CID 156601185

IUPAC(5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S1
InChIInChI=1S/C10H6BrClN2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16)/b7-2-
InChIKeyYFIFRZLOKVWADU-UQCOIBPSSA-N
MW333.59 g/mol
LogP2.95
Rot. Bonds1

About (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

(5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 156601185) has the molecular formula C10H6BrClN2O2S and a molecular weight of 333.59 g/mol. Its IUPAC name is (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID156601185
Molecular FormulaC10H6BrClN2O2S
Molecular Weight333.59 g/mol
Exact Mass331.90
IUPAC Name(5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S1
InChIInChI=1S/C10H6BrClN2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16)/b7-2-
InChIKeyYFIFRZLOKVWADU-UQCOIBPSSA-N
XLogP2.95
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 52.95
H-Bond Donors ≤ 53
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-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154777238
(5Z)-5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138388084
(5E)-5-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 156601276
(5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6026022
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 140632499
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154735586
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 86206726
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379615
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844355
(5Z)-5-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154792400
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136914336
ethyl 2-[4-chloro-2-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 138388076

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 156601185) is (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S1.
What is the InChIKey of (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is YFIFRZLOKVWADU-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H6BrClN2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16)/b7-2-.
What are the key properties of (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 333.59 g/mol, XLogP of 2.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 156601185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).