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

C16H21N3O2S2 — CID 1383546

IUPAC2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCC/N=C1/S[C@@H](CC(=O)Nc2ccccc2SC)C(=O)N1CC
InChIInChI=1S/C16H21N3O2S2/c1-4-17-16-19(5-2)15(21)13(23-16)10-14(20)18-11-8-6-7-9-12(11)22-3/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)/b17-16+/t13-/m0/s1
InChIKeyHMTYYZFOOJFSFS-CMTMBAJVSA-N
MW351.50 g/mol
LogP3.08
Rot. Bonds6

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

2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 1383546) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID1383546
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC Name2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCC/N=C1/S[C@@H](CC(=O)Nc2ccccc2SC)C(=O)N1CC
InChIInChI=1S/C16H21N3O2S2/c1-4-17-16-19(5-2)15(21)13(23-16)10-14(20)18-11-8-6-7-9-12(11)22-3/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)/b17-16+/t13-/m0/s1
InChIKeyHMTYYZFOOJFSFS-CMTMBAJVSA-N
XLogP3.08
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.08
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

N-(2-chlorophenyl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3147896
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 7318576
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
N-[2-(difluoromethoxy)phenyl]-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1236104
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 9006198
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 21369010
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(4-phenoxyphenyl)acetamide
CID 4846078
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-phenylethyl)acetamide
CID 3659852
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-phenylethyl)acetamide
CID 7323976
2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40557044
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
[2-[[2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]phenyl] acetate
CID 21368536

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 1383546) is 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide is CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2SC)C(=O)N1CC.
What is the InChIKey of 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is HMTYYZFOOJFSFS-CMTMBAJVSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-4-17-16-19(5-2)15(21)13(23-16)10-14(20)18-11-8-6-7-9-12(11)22-3/h6-9,13H,4-5,10H2,1-3H3,(H,18,20)/b17-16+/t13-/m0/s1.
What are the key properties of 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 351.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1383546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).