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

C19H18FN3O3S — CID 28748444

IUPAC2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1
InChIInChI=1S/C19H18FN3O3S/c1-23-18(25)16(27-19(23)22-14-5-3-4-12(20)10-14)11-17(24)21-13-6-8-15(26-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,21,24)/b22-19-/t16-/m1/s1
InChIKeyKHOLOIGNIWKXOQ-BWORXHKJSA-N
MW387.44 g/mol
LogP3.42
Rot. Bonds5

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

2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 28748444) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID28748444
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1
InChIInChI=1S/C19H18FN3O3S/c1-23-18(25)16(27-19(23)22-14-5-3-4-12(20)10-14)11-17(24)21-13-6-8-15(26-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,21,24)/b22-19-/t16-/m1/s1
InChIKeyKHOLOIGNIWKXOQ-BWORXHKJSA-N
XLogP3.42
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[(5S)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7318124
2-[(5S)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 40719882
2-[(5S)-2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 7323967
N-(4-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 7299819
2-[(5R)-2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 28748392
N-(4-ethoxyphenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982350
N-(3-ethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28718014
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
(6R)-2-(3-fluorophenyl)imino-N-(4-methoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114290
N-(4-fluorophenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1280340
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
4-[[2-[2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 3534872

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide (CID 28748444) is 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[C@H]2S/C(=N\c3cccc(F)c3)N(C)C2=O)cc1.
What is the InChIKey of 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is KHOLOIGNIWKXOQ-BWORXHKJSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-23-18(25)16(27-19(23)22-14-5-3-4-12(20)10-14)11-17(24)21-13-6-8-15(26-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,21,24)/b22-19-/t16-/m1/s1.
What are the key properties of 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide?
2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 28748444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).