N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide

C23H18FN5O2S — CID 4600825

IUPACN-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
SMILESO=C(C=C1S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN5O2S/c24-18-5-7-19(8-6-18)28-21(30)11-20-22(31)29(15-17-4-2-10-26-13-17)23(32-20)27-14-16-3-1-9-25-12-16/h1-13H,14-15H2,(H,28,30)/b20-11?,27-23-
InChIKeyIDMFQRNTDIZXMY-JVCVKMKASA-N
MW447.50 g/mol
LogP3.77
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide

N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide (PubChem CID 4600825) has the molecular formula C23H18FN5O2S and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
PubChem CID4600825
Molecular FormulaC23H18FN5O2S
Molecular Weight447.50 g/mol
Exact Mass447.12
IUPAC NameN-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
SMILESO=C(C=C1S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN5O2S/c24-18-5-7-19(8-6-18)28-21(30)11-20-22(31)29(15-17-4-2-10-26-13-17)23(32-20)27-14-16-3-1-9-25-12-16/h1-13H,14-15H2,(H,28,30)/b20-11?,27-23-
InChIKeyIDMFQRNTDIZXMY-JVCVKMKASA-N
XLogP3.77
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.77
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'}

Analyze N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]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-(4-methoxyphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 4260825
(2Z)-N-(3-chlorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide
CID 17118377
2-[3-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylimino]-4-oxo-1,3-thiazolidin-5-ylidene]-N-(4-methoxyphenyl)acetamide
CID 4038079
(2E)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazolidin-5-ylidene]acetamide;hydrobromide
CID 17118402
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
(5E)-3-benzyl-2-benzylimino-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 6372657
N-benzyl-2-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]acetamide
CID 3614995
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
N-benzyl-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 21235061
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-3-ylethyl)acetamide
CID 55555065
4-[(Z)-[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 46250012
3-fluoro-N-[N-(4-fluorophenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50817628

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide (CID 4600825) is N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide is O=C(C=C1S/C(=N\Cc2cccnc2)N(Cc2cccnc2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
The InChIKey is IDMFQRNTDIZXMY-JVCVKMKASA-N. The full InChI is InChI=1S/C23H18FN5O2S/c24-18-5-7-19(8-6-18)28-21(30)11-20-22(31)29(15-17-4-2-10-26-13-17)23(32-20)27-14-16-3-1-9-25-12-16/h1-13H,14-15H2,(H,28,30)/b20-11?,27-23-.
What are the key properties of N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide?
N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide has a molecular weight of 447.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazolidin-5-ylidene]acetamide is sourced from PubChem (CID 4600825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).