2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

C21H16ClFN6O3S — CID 24604148

IUPAC2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(Cl)c2)n1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
InChIInChI=1S/C21H16ClFN6O3S/c22-15-6-3-5-14(10-15)19-25-27-29(26-19)12-18(30)24-8-9-28-20(31)17(33-21(28)32)11-13-4-1-2-7-16(13)23/h1-7,10-11H,8-9,12H2,(H,24,30)/b17-11-
InChIKeyUMDQKFVBYGYAPU-BOPFTXTBSA-N
MW486.92 g/mol
LogP2.99
Rot. Bonds7

About 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide (PubChem CID 24604148) has the molecular formula C21H16ClFN6O3S and a molecular weight of 486.92 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
PubChem CID24604148
Molecular FormulaC21H16ClFN6O3S
Molecular Weight486.92 g/mol
Exact Mass486.07
IUPAC Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(Cl)c2)n1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
InChIInChI=1S/C21H16ClFN6O3S/c22-15-6-3-5-14(10-15)19-25-27-29(26-19)12-18(30)24-8-9-28-20(31)17(33-21(28)32)11-13-4-1-2-7-16(13)23/h1-7,10-11H,8-9,12H2,(H,24,30)/b17-11-
InChIKeyUMDQKFVBYGYAPU-BOPFTXTBSA-N
XLogP2.99
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.92
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 18777107
(Z)-N-[2-[(5E)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylbut-2-enamide
CID 60529913
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide
CID 8912881
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555118
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-iodobenzamide
CID 29176375
2-(2-bromophenyl)-N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 72687039
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24604027
N-(4-chlorophenyl)-2-[(5E)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124654366
N-(4-chlorophenyl)-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632000
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide
CID 74489233
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24564282
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-methylsulfonylbenzamide
CID 26184358

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide (CID 24604148) is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide is O=C(Cn1nnc(-c2cccc(Cl)c2)n1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O.
What is the InChIKey of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
The InChIKey is UMDQKFVBYGYAPU-BOPFTXTBSA-N. The full InChI is InChI=1S/C21H16ClFN6O3S/c22-15-6-3-5-14(10-15)19-25-27-29(26-19)12-18(30)24-8-9-28-20(31)17(33-21(28)32)11-13-4-1-2-7-16(13)23/h1-7,10-11H,8-9,12H2,(H,24,30)/b17-11-.
What are the key properties of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide?
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide has a molecular weight of 486.92 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 24604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).