N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C16H19N3O4S — CID 1419014

IUPACN-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC/N=C1/S[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC
InChIInChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)15(21)13(24-16)8-14(20)18-10-5-6-11-12(7-10)23-9-22-11/h5-7,13H,3-4,8-9H2,1-2H3,(H,18,20)/b17-16+/t13-/m1/s1
InChIKeyORCGPFDYBFATGA-PHODEOQFSA-N
MW349.41 g/mol
LogP2.08
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1419014) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID1419014
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC/N=C1/S[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC
InChIInChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)15(21)13(24-16)8-14(20)18-10-5-6-11-12(7-10)23-9-22-11/h5-7,13H,3-4,8-9H2,1-2H3,(H,18,20)/b17-16+/t13-/m1/s1
InChIKeyORCGPFDYBFATGA-PHODEOQFSA-N
XLogP2.08
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 9006198
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-phenoxyphenyl)acetamide
CID 4846078
2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40557044
N-(1,3-benzodioxol-5-yl)-2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148327
N-(1,3-benzodioxol-5-yl)-2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4160363
2-[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 45149195
N-(1,3-benzodioxol-5-yl)-2-[2-(9-ethylcarbazol-2-yl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 3687952
N-(2-chlorophenyl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3147896
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 21369010
2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 1383546
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 7318576

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 1419014) is N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC/N=C1/S[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)N1CC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ORCGPFDYBFATGA-PHODEOQFSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)15(21)13(24-16)8-14(20)18-10-5-6-11-12(7-10)23-9-22-11/h5-7,13H,3-4,8-9H2,1-2H3,(H,18,20)/b17-16+/t13-/m1/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1419014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).