N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C15H25N3O2S — CID 2937577

IUPACN-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1/SC(CC(=O)NC2CCCCC2)C(=O)N1CC
InChIInChI=1S/C15H25N3O2S/c1-3-16-15-18(4-2)14(20)12(21-15)10-13(19)17-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,17,19)/b16-15+
InChIKeyQLJULGLASUDEHU-FOCLMDBBSA-N
MW311.45 g/mol
LogP2.17
Rot. Bonds5

About N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2937577) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID2937577
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCC/N=C1/SC(CC(=O)NC2CCCCC2)C(=O)N1CC
InChIInChI=1S/C15H25N3O2S/c1-3-16-15-18(4-2)14(20)12(21-15)10-13(19)17-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,17,19)/b16-15+
InChIKeyQLJULGLASUDEHU-FOCLMDBBSA-N
XLogP2.17
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-phenylethyl)acetamide
CID 7323976
N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1203904
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-naphthalen-2-ylacetamide
CID 9006198
N-cyclohexyl-2-[(4S)-1,3-diethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 978120
methyl (6R)-2-[[2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6561936
methyl (6S)-2-[[2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6553003
N-cyclohexyl-2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148325
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 154800171
N-cyclooctylpropanamide
CID 3387497

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 2937577) is N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CC/N=C1/SC(CC(=O)NC2CCCCC2)C(=O)N1CC.
What is the InChIKey of N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is QLJULGLASUDEHU-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-16-15-18(4-2)14(20)12(21-15)10-13(19)17-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3,(H,17,19)/b16-15+.
What are the key properties of N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2937577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).