N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C12H12IN3O2S — CID 135691853

IUPACN-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S1
InChIInChI=1S/C12H12IN3O2S/c1-14-12-16-11(18)9(19-12)6-10(17)15-8-4-2-7(13)3-5-8/h2-5,9H,6H2,1H3,(H,15,17)(H,14,16,18)/t9-/m0/s1
InChIKeyYYNUZJZPSAXCLS-VIFPVBQESA-N
MW389.22 g/mol
LogP1.84
Rot. Bonds3

About N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691853) has the molecular formula C12H12IN3O2S and a molecular weight of 389.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691853
Molecular FormulaC12H12IN3O2S
Molecular Weight389.22 g/mol
Exact Mass388.97
IUPAC NameN-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S1
InChIInChI=1S/C12H12IN3O2S/c1-14-12-16-11(18)9(19-12)6-10(17)15-8-4-2-7(13)3-5-8/h2-5,9H,6H2,1H3,(H,15,17)(H,14,16,18)/t9-/m0/s1
InChIKeyYYNUZJZPSAXCLS-VIFPVBQESA-N
XLogP1.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-[(2E)-2-[(E)-3-methylbutan-2-ylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135588619
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 135532243
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
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
N-(4-methylphenyl)-2-[(5S)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135750479
2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135692217
2-[(2E,5S)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 135725374
N-(4-bromophenyl)-2-[(2E,5S)-4-oxo-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136671598
2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135691792
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135427527
N-(4-bromophenyl)-2-[(5R)-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691786

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135691853) is N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(I)cc2)S1.
What is the InChIKey of N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YYNUZJZPSAXCLS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12IN3O2S/c1-14-12-16-11(18)9(19-12)6-10(17)15-8-4-2-7(13)3-5-8/h2-5,9H,6H2,1H3,(H,15,17)(H,14,16,18)/t9-/m0/s1.
What are the key properties of N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 389.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).