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

C19H18FN3O3S — CID 28776725

IUPAC2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CN2C(=O)[C@H](CC(N)=O)S/C2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-26-15-8-2-12(3-9-15)11-23-18(25)16(10-17(21)24)27-19(23)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H2,21,24)/b22-19-/t16-/m0/s1
InChIKeyXDGXNWDUFJBAAS-VFOOBRQFSA-N
MW387.44 g/mol
LogP2.84
Rot. Bonds6

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

2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 28776725) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID28776725
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(CN2C(=O)[C@H](CC(N)=O)S/C2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O3S/c1-26-15-8-2-12(3-9-15)11-23-18(25)16(10-17(21)24)27-19(23)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H2,21,24)/b22-19-/t16-/m0/s1
InChIKeyXDGXNWDUFJBAAS-VFOOBRQFSA-N
XLogP2.84
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.84
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

2-[(5R)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 28776722
2-[2-(4-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 17382305
N-(2-chlorophenyl)-2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41244460
2-[(5S)-3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 41242668
2-[(5S)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 28776742
2-[(5R)-3-benzyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 41245251
4-[[2-[2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 4024054
ethyl 4-[[(5S)-5-(2-amino-2-oxoethyl)-3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 28698409
(6S)-N-ethyl-3-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 1131844
2-[(5S)-3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 40938601
2-[(5R)-2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 28776539
2-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-methylacetamide
CID 5033331

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 28776725) is 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1ccc(CN2C(=O)[C@H](CC(N)=O)S/C2=N\c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is XDGXNWDUFJBAAS-VFOOBRQFSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-26-15-8-2-12(3-9-15)11-23-18(25)16(10-17(21)24)27-19(23)22-14-6-4-13(20)5-7-14/h2-9,16H,10-11H2,1H3,(H2,21,24)/b22-19-/t16-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide?
2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 28776725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).