[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea

C11H8Cl2N4OS2 — CID 137265880

IUPAC[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
SMILESNC(=S)N/N=C1/NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C11H8Cl2N4OS2/c12-6-2-1-5(7(13)4-6)3-8-9(18)15-11(20-8)17-16-10(14)19/h1-4H,(H3,14,16,19)(H,15,17,18)/b8-3+
InChIKeyGBAAKHKPSFJKHF-FPYGCLRLSA-N
MW347.25 g/mol
LogP2.30
Rot. Bonds2

About [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea

[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea (PubChem CID 137265880) has the molecular formula C11H8Cl2N4OS2 and a molecular weight of 347.25 g/mol. Its IUPAC name is [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
PubChem CID137265880
Molecular FormulaC11H8Cl2N4OS2
Molecular Weight347.25 g/mol
Exact Mass345.95
IUPAC Name[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
SMILESNC(=S)N/N=C1/NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C11H8Cl2N4OS2/c12-6-2-1-5(7(13)4-6)3-8-9(18)15-11(20-8)17-16-10(14)19/h1-4H,(H3,14,16,19)(H,15,17,18)/b8-3+
InChIKeyGBAAKHKPSFJKHF-FPYGCLRLSA-N
XLogP2.30
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 52.30
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(2,4-dichlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 135432394
2-[[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 135834515
(5E)-2-(3-chlorophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062838
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135602974
(5Z)-2-(2-bromophenyl)imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135844599
[(E)-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea
CID 135601476
N-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
CID 147110511
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523178
2-[(E)-[2-(2,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135948022
methyl (2Z)-2-[(2Z)-2-[(2,4-dichlorobenzoyl)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 135643200
methyl (2E)-2-[2-[(2,4-dichlorobenzoyl)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 137214098
(2Z,5E)-5-[(2,4-dichlorophenyl)methylidene]-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135939408

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea?
The IUPAC name of [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea (CID 137265880) is [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea is NC(=S)N/N=C1/NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1.
What is the InChIKey of [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea?
The InChIKey is GBAAKHKPSFJKHF-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H8Cl2N4OS2/c12-6-2-1-5(7(13)4-6)3-8-9(18)15-11(20-8)17-16-10(14)19/h1-4H,(H3,14,16,19)(H,15,17,18)/b8-3+.
What are the key properties of [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea?
[(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea has a molecular weight of 347.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]thiourea is sourced from PubChem (CID 137265880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).