(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C16H10ClN3O3S — CID 137059706

IUPAC(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)S1
InChIInChI=1S/C16H10ClN3O3S/c17-11-3-1-2-4-12(11)20-19-10-5-6-13(21)9(7-10)8-14-15(22)18-16(23)24-14/h1-8,21H,(H,18,22,23)/b14-8+,20-19+
InChIKeyRCTREFFNJXRRSU-RKXUONLDSA-N
MW359.79 g/mol
LogP4.78
Rot. Bonds3

About (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 137059706) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID137059706
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)S1
InChIInChI=1S/C16H10ClN3O3S/c17-11-3-1-2-4-12(11)20-19-10-5-6-13(21)9(7-10)8-14-15(22)18-16(23)24-14/h1-8,21H,(H,18,22,23)/b14-8+,20-19+
InChIKeyRCTREFFNJXRRSU-RKXUONLDSA-N
XLogP4.78
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2852002
(5Z)-2-(2-chlorophenyl)imino-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137059824
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059845
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 135968353
(5E)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135745028
(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazolidine-2,4-dione
CID 135968446
(5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6026022
(5E)-2-(2-chlorophenyl)imino-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135628758
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700
(5Z)-2-(2-chlorophenyl)imino-5-[(4-hydroxy-3-nitrosophenyl)methylidene]-1,3-thiazolidin-4-one
CID 143537188

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 137059706) is (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)S1.
What is the InChIKey of (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is RCTREFFNJXRRSU-RKXUONLDSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c17-11-3-1-2-4-12(11)20-19-10-5-6-13(21)9(7-10)8-14-15(22)18-16(23)24-14/h1-8,21H,(H,18,22,23)/b14-8+,20-19+.
What are the key properties of (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.79 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 137059706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).