N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide

C10H20N2O2S — CID 65106512

IUPACN-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CSCN1
InChIInChI=1S/C10H20N2O2S/c1-3-10(14,4-2)6-11-9(13)8-5-15-7-12-8/h8,12,14H,3-7H2,1-2H3,(H,11,13)
InChIKeyWPFNGEHLHBGBSA-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.32
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide

N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 65106512) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID65106512
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)C1CSCN1
InChIInChI=1S/C10H20N2O2S/c1-3-10(14,4-2)6-11-9(13)8-5-15-7-12-8/h8,12,14H,3-7H2,1-2H3,(H,11,13)
InChIKeyWPFNGEHLHBGBSA-UHFFFAOYSA-N
XLogP0.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide (CID 65106512) is N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide is CCC(O)(CC)CNC(=O)C1CSCN1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WPFNGEHLHBGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-10(14,4-2)6-11-9(13)8-5-15-7-12-8/h8,12,14H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 232.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 65106512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).