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

C21H23ClFN3OS — CID 67346952

IUPACN-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide
SMILESCC(C)c1ccc(/N=C2\SCC(CC(=O)Nc3ccc(Cl)cc3F)N2C)cc1
InChIInChI=1S/C21H23ClFN3OS/c1-13(2)14-4-7-16(8-5-14)24-21-26(3)17(12-28-21)11-20(27)25-19-9-6-15(22)10-18(19)23/h4-10,13,17H,11-12H2,1-3H3,(H,25,27)/b24-21-
InChIKeyRZKZHRRWPYOUOD-FLFQWRMESA-N
MW419.95 g/mol
LogP5.67
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide (PubChem CID 67346952) has the molecular formula C21H23ClFN3OS and a molecular weight of 419.95 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide
PubChem CID67346952
Molecular FormulaC21H23ClFN3OS
Molecular Weight419.95 g/mol
Exact Mass419.12
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide
SMILESCC(C)c1ccc(/N=C2\SCC(CC(=O)Nc3ccc(Cl)cc3F)N2C)cc1
InChIInChI=1S/C21H23ClFN3OS/c1-13(2)14-4-7-16(8-5-14)24-21-26(3)17(12-28-21)11-20(27)25-19-9-6-15(22)10-18(19)23/h4-10,13,17H,11-12H2,1-3H3,(H,25,27)/b24-21-
InChIKeyRZKZHRRWPYOUOD-FLFQWRMESA-N
XLogP5.67
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 55.67
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

1-(4-Butylphenyl)-3-(4-chlorophenyl)-1-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048789
2-[(4-Chlorophenyl)imino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazolidin-4-one
CID 135620514
N-(4-chloro-2-methylphenyl)-2-{3-methyl-2-[(2-methylphenyl)azamethylene]-4-oxo (1,3-thiazolidin-5-yl)}acetamide
CID 3474920
N-(3-chloro-4-fluorophenyl)-2-(7-isopropyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868708
N-(4-butylphenyl)-2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 44452746
2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 44452797
2-[2-(4-butylphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 44452799
N-(4-chlorophenyl)-2-[3-methyl-2-(4-phenylphenyl)imino-1,3-thiazol-4-yl]acetamide
CID 44452802
2-[2-(3-chloro-2-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 44452841
2-[2-(4-chloro-2-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 44452842
2-[2-(2-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 44452843
2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-[4-(difluoromethyl)phenyl]acetamide
CID 44452845

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide (CID 67346952) is N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide is CC(C)c1ccc(/N=C2\SCC(CC(=O)Nc3ccc(Cl)cc3F)N2C)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide?
The InChIKey is RZKZHRRWPYOUOD-FLFQWRMESA-N. The full InChI is InChI=1S/C21H23ClFN3OS/c1-13(2)14-4-7-16(8-5-14)24-21-26(3)17(12-28-21)11-20(27)25-19-9-6-15(22)10-18(19)23/h4-10,13,17H,11-12H2,1-3H3,(H,25,27)/b24-21-.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 419.95 g/mol, XLogP of 5.67, 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-[3-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 67346952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).