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

C18H16ClF2N3OS — CID 67346962

IUPACN-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide
SMILESCN1/C(=N/c2cccc(F)c2)SCC1CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClF2N3OS/c1-24-14(9-17(25)23-16-6-5-11(19)7-15(16)21)10-26-18(24)22-13-4-2-3-12(20)8-13/h2-8,14H,9-10H2,1H3,(H,23,25)/b22-18-
InChIKeyHNNWXMZJNCAMCS-PYCFMQQDSA-N
MW395.86 g/mol
LogP4.68
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide (PubChem CID 67346962) has the molecular formula C18H16ClF2N3OS and a molecular weight of 395.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide
PubChem CID67346962
Molecular FormulaC18H16ClF2N3OS
Molecular Weight395.86 g/mol
Exact Mass395.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide
SMILESCN1/C(=N/c2cccc(F)c2)SCC1CC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H16ClF2N3OS/c1-24-14(9-17(25)23-16-6-5-11(19)7-15(16)21)10-26-18(24)22-13-4-2-3-12(20)8-13/h2-8,14H,9-10H2,1H3,(H,23,25)/b22-18-
InChIKeyHNNWXMZJNCAMCS-PYCFMQQDSA-N
XLogP4.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 54.68
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

N-(4-chlorophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2937826
2-[1-(4-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 3101611
N-(4-chlorophenyl)-2-[(2Z)-3-(2-hydroxypropyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3237198
N-(4-chlorophenyl)-2-[(2Z)-3-(3-hydroxypropyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 3243139
2-{2-[(4-chlorophenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl}-N-ethylacetamide
CID 3972953
1-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3155567
N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135543441
N-(4-chloro-2-fluorophenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135543448
2-(2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 135501982
N-(4-chlorophenyl)-2-[2-(3-methoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135488861
N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2052865
2-((3-(4-chlorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
CID 2052876

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide (CID 67346962) is N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide is CN1/C(=N/c2cccc(F)c2)SCC1CC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
The InChIKey is HNNWXMZJNCAMCS-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H16ClF2N3OS/c1-24-14(9-17(25)23-16-6-5-11(19)7-15(16)21)10-26-18(24)22-13-4-2-3-12(20)8-13/h2-8,14H,9-10H2,1H3,(H,23,25)/b22-18-.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[2-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide has a molecular weight of 395.86 g/mol, XLogP of 4.68, 4 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-(3-fluorophenyl)imino-3-methyl-1,3-thiazolidin-4-yl]acetamide is sourced from PubChem (CID 67346962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).