N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C11H19F3N2O2S — CID 54871732

IUPACN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C11H19F3N2O2S/c1-2-18-5-3-4-16(7-11(12,13)14)10(17)9-6-19-8-15-9/h9,15H,2-8H2,1H3
InChIKeyMBDRNQURERQHLZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.47
Rot. Bonds7

About N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54871732) has the molecular formula C11H19F3N2O2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54871732
Molecular FormulaC11H19F3N2O2S
Molecular Weight300.35 g/mol
Exact Mass300.11
IUPAC NameN-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C11H19F3N2O2S/c1-2-18-5-3-4-16(7-11(12,13)14)10(17)9-6-19-8-15-9/h9,15H,2-8H2,1H3
InChIKeyMBDRNQURERQHLZ-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 54871732) is N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MBDRNQURERQHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2S/c1-2-18-5-3-4-16(7-11(12,13)14)10(17)9-6-19-8-15-9/h9,15H,2-8H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54871732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).