(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

C18H17NO3S — CID 24633772

IUPAC(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESO=C(CN1CSCC1=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c20-17-12-23-13-19(17)10-18(21)22-11-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyNMKXBQANYZQYRT-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.93
Rot. Bonds5

About (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate

(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (PubChem CID 24633772) has the molecular formula C18H17NO3S and a molecular weight of 327.40 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
PubChem CID24633772
Molecular FormulaC18H17NO3S
Molecular Weight327.40 g/mol
Exact Mass327.09
IUPAC Name(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
SMILESO=C(CN1CSCC1=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c20-17-12-23-13-19(17)10-18(21)22-11-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyNMKXBQANYZQYRT-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
(4-phenylphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813224
benzyl 2-(3-oxomorpholin-4-yl)acetate;2-(3-oxomorpholin-4-yl)acetic acid
CID 158991156
(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 103804375
(4-phenylphenyl)methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603246
(4-phenylphenyl)methyl carbamate
CID 123751479
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 75405301
(4-phenylphenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794225
benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
CID 174402054
3-methyl-6-oxo-1-(2-oxo-2-phenylmethoxyethyl)-1,3-diazinane-4-carboxylic acid
CID 20657678

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate (CID 24633772) is (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is O=C(CN1CSCC1=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
The InChIKey is NMKXBQANYZQYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c20-17-12-23-13-19(17)10-18(21)22-11-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate?
(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate has a molecular weight of 327.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 24633772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).