N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C23H20FN3O4S — CID 4145705

IUPACN-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H20FN3O4S/c1-30-16-10-8-15(9-11-16)25-23-27(14-17-5-4-12-31-17)22(29)20(32-23)13-21(28)26-19-7-3-2-6-18(19)24/h2-12,20H,13-14H2,1H3,(H,26,28)/b25-23-
InChIKeyRLSZUXFYPBXFOS-BZZOAKBMSA-N
MW453.50 g/mol
LogP4.59
Rot. Bonds7

About N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4145705) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID4145705
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C23H20FN3O4S/c1-30-16-10-8-15(9-11-16)25-23-27(14-17-5-4-12-31-17)22(29)20(32-23)13-21(28)26-19-7-3-2-6-18(19)24/h2-12,20H,13-14H2,1H3,(H,26,28)/b25-23-
InChIKeyRLSZUXFYPBXFOS-BZZOAKBMSA-N
XLogP4.59
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]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

CID 9894278
CID 9894278
3-(2-Furylmethyl)-2-[(2-methoxyphenyl)imino]-1,3-thiazolan-4-one
CID 327073
2-[3-(furan-2-ylmethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 662341
(E)-2-cyano-2-(5-ethyl-3-(4-fluorophenyl)-4-oxothiazolidin-2-ylidene)-N-(furan-2-ylmethyl)acetamide
CID 665722
2-[3-(4-ethoxyphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(2-furylmethyl)acet amide
CID 1071174
Methyl 2-(4-fluorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazine-6-carboxylate
CID 1518867
2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2052854
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2155331
7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2879414
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2999941
Ethyl {[6-(4-fluorophenyl)-3-(2-furylmethyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetate
CID 3245165
2-[5-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}thio)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-(2-furylmethyl)acetamide
CID 3432963

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 4145705) is N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RLSZUXFYPBXFOS-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-30-16-10-8-15(9-11-16)25-23-27(14-17-5-4-12-31-17)22(29)20(32-23)13-21(28)26-19-7-3-2-6-18(19)24/h2-12,20H,13-14H2,1H3,(H,26,28)/b25-23-.
What are the key properties of N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4145705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).