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

C15H25N3O2S — CID 1302406

IUPACN-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC/N=C1/S[C@@H](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+/t12-/m0/s1
InChIKeyQLJULGLASUDEHU-VVLLMFOMSA-N
MW311.45 g/mol
LogP2.17
Rot. Bonds5

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

N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1302406) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID1302406
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCC/N=C1/S[C@@H](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+/t12-/m0/s1
InChIKeyQLJULGLASUDEHU-VVLLMFOMSA-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 1302406) is N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CC/N=C1/S[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CC.
What is the InChIKey of N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is QLJULGLASUDEHU-VVLLMFOMSA-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+/t12-/m0/s1.
What are the key properties of N-cyclohexyl-2-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-cyclohexyl-2-[(5S)-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-[(5S)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1302406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).