N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide

C20H21ClFN3OS — CID 67347743

IUPACN-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide
SMILESCCc1ccc(/N=C2\SCC(CC(=O)Nc3ccc(Cl)cc3F)N2C)cc1
InChIInChI=1S/C20H21ClFN3OS/c1-3-13-4-7-15(8-5-13)23-20-25(2)16(12-27-20)11-19(26)24-18-9-6-14(21)10-17(18)22/h4-10,16H,3,11-12H2,1-2H3,(H,24,26)/b23-20-
InChIKeyHFFRVQMFMIYTGO-ATJXCDBQSA-N
MW405.93 g/mol
LogP5.11
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide (PubChem CID 67347743) has the molecular formula C20H21ClFN3OS and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide
PubChem CID67347743
Molecular FormulaC20H21ClFN3OS
Molecular Weight405.93 g/mol
Exact Mass405.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide
SMILESCCc1ccc(/N=C2\SCC(CC(=O)Nc3ccc(Cl)cc3F)N2C)cc1
InChIInChI=1S/C20H21ClFN3OS/c1-3-13-4-7-15(8-5-13)23-20-25(2)16(12-27-20)11-19(26)24-18-9-6-14(21)10-17(18)22/h4-10,16H,3,11-12H2,1-2H3,(H,24,26)/b23-20-
InChIKeyHFFRVQMFMIYTGO-ATJXCDBQSA-N
XLogP5.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(benzylimino)-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 917438
4-acetamido-N-(4-chlorophenyl)-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 24249183
2-((5-Acetyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)thio)-N-(4-chlorophenyl)acetamide (4b)
CID 122198605
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-chlorophenyl)propanamide
CID 3352225
1-(4-Butylphenyl)-3-(4-chlorophenyl)-1-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048789
N-(2-chlorophenyl)-2-{[6-(4-fluorobenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 135546914
2-[(4-Chlorophenyl)imino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazolidin-4-one
CID 135620514
3-(4-Chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
CID 2729366
2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 2155438
N-(4-chloro-2-methylphenyl)-2-{3-methyl-2-[(2-methylphenyl)azamethylene]-4-oxo (1,3-thiazolidin-5-yl)}acetamide
CID 3474920
(2E)-N-(3-chloro-4-methylphenyl)-2-[(3-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3591502
(2Z)-2-[(3-chloro-4-methylphenyl)imino]-N-(4-fluorophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 3848768

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide (CID 67347743) is N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide is CCc1ccc(/N=C2\SCC(CC(=O)Nc3ccc(Cl)cc3F)N2C)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
The InChIKey is HFFRVQMFMIYTGO-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H21ClFN3OS/c1-3-13-4-7-15(8-5-13)23-20-25(2)16(12-27-20)11-19(26)24-18-9-6-14(21)10-17(18)22/h4-10,16H,3,11-12H2,1-2H3,(H,24,26)/b23-20-.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 405.93 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[2-(4-ethylphenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 67347743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).