2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone

C11H20N2OS — CID 75031187

IUPAC2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
SMILESNC(C(=O)N1CCSC1)C1CCCCC1
InChIInChI=1S/C11H20N2OS/c12-10(9-4-2-1-3-5-9)11(14)13-6-7-15-8-13/h9-10H,1-8,12H2
InChIKeyNEBWHDJOHHYIFW-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.43
Rot. Bonds2

About 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone

2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone (PubChem CID 75031187) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
PubChem CID75031187
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
SMILESNC(C(=O)N1CCSC1)C1CCCCC1
InChIInChI=1S/C11H20N2OS/c12-10(9-4-2-1-3-5-9)11(14)13-6-7-15-8-13/h9-10H,1-8,12H2
InChIKeyNEBWHDJOHHYIFW-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone (CID 75031187) is 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone is NC(C(=O)N1CCSC1)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone?
The InChIKey is NEBWHDJOHHYIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c12-10(9-4-2-1-3-5-9)11(14)13-6-7-15-8-13/h9-10H,1-8,12H2.
What are the key properties of 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone?
2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone has a molecular weight of 228.36 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 75031187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).