(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide

C10H17N3O2S — CID 163454521

IUPAC(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide
SMILESCCNC(=O)[C@@H](C#N)C1SCC(O)N1CC
InChIInChI=1S/C10H17N3O2S/c1-3-12-9(15)7(5-11)10-13(4-2)8(14)6-16-10/h7-8,10,14H,3-4,6H2,1-2H3,(H,12,15)/t7-,8?,10?/m1/s1
InChIKeyBJHRPTMJEAGMNE-ZNFPMYQNSA-N
MW243.33 g/mol
LogP-0.02
Rot. Bonds4

About (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide

(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide (PubChem CID 163454521) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide
PubChem CID163454521
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide
SMILESCCNC(=O)[C@@H](C#N)C1SCC(O)N1CC
InChIInChI=1S/C10H17N3O2S/c1-3-12-9(15)7(5-11)10-13(4-2)8(14)6-16-10/h7-8,10,14H,3-4,6H2,1-2H3,(H,12,15)/t7-,8?,10?/m1/s1
InChIKeyBJHRPTMJEAGMNE-ZNFPMYQNSA-N
XLogP-0.02
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide?
The IUPAC name of (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide (CID 163454521) is (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide.
What is the SMILES notation for (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide?
The canonical SMILES for (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide is CCNC(=O)[C@@H](C#N)C1SCC(O)N1CC.
What is the InChIKey of (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide?
The InChIKey is BJHRPTMJEAGMNE-ZNFPMYQNSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-12-9(15)7(5-11)10-13(4-2)8(14)6-16-10/h7-8,10,14H,3-4,6H2,1-2H3,(H,12,15)/t7-,8?,10?/m1/s1.
What are the key properties of (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide?
(2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide has a molecular weight of 243.33 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-ethyl-2-(3-ethyl-4-hydroxy-1,3-thiazolidin-2-yl)acetamide is sourced from PubChem (CID 163454521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).