2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide

C16H14N4O6S2 — CID 2135569

IUPAC2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
SMILESO=C(C[C@H]1SC(=O)NC1=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1
InChIInChI=1S/C16H14N4O6S2/c21-11(5-9-13(23)19-15(25)27-9)17-7-1-2-8(4-3-7)18-12(22)6-10-14(24)20-16(26)28-10/h1-4,9-10H,5-6H2,(H,17,21)(H,18,22)(H,19,23,25)(H,20,24,26)/t9-,10-/m1/s1
InChIKeyPYIMXIOUKFRAMV-NXEZZACHSA-N
MW422.44 g/mol
LogP1.05
Rot. Bonds6

About 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide

2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide (PubChem CID 2135569) has the molecular formula C16H14N4O6S2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
PubChem CID2135569
Molecular FormulaC16H14N4O6S2
Molecular Weight422.44 g/mol
Exact Mass422.04
IUPAC Name2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
SMILESO=C(C[C@H]1SC(=O)NC1=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1
InChIInChI=1S/C16H14N4O6S2/c21-11(5-9-13(23)19-15(25)27-9)17-7-1-2-8(4-3-7)18-12(22)6-10-14(24)20-16(26)28-10/h1-4,9-10H,5-6H2,(H,17,21)(H,18,22)(H,19,23,25)(H,20,24,26)/t9-,10-/m1/s1
InChIKeyPYIMXIOUKFRAMV-NXEZZACHSA-N
XLogP1.05
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 6982475
ethyl 4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 1247940
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxyphenyl)acetamide
CID 7066089
N-(4-chlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220255
N-(4-chlorophenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 93020224
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25220247
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1300512
N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691853
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
methyl 2-[(4Z,5S)-4-[(Z)-[(5R)-5-[2-(4-bromoanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-2-oxo-1,3-thiazolidin-5-yl]acetate
CID 136836274

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide (CID 2135569) is 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide is O=C(C[C@H]1SC(=O)NC1=O)Nc1ccc(NC(=O)C[C@H]2SC(=O)NC2=O)cc1.
What is the InChIKey of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?
The InChIKey is PYIMXIOUKFRAMV-NXEZZACHSA-N. The full InChI is InChI=1S/C16H14N4O6S2/c21-11(5-9-13(23)19-15(25)27-9)17-7-1-2-8(4-3-7)18-12(22)6-10-14(24)20-16(26)28-10/h1-4,9-10H,5-6H2,(H,17,21)(H,18,22)(H,19,23,25)(H,20,24,26)/t9-,10-/m1/s1.
What are the key properties of 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide?
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide has a molecular weight of 422.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 2135569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).