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

C11H17F3N2OS — CID 54870138

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C11H17F3N2OS/c1-7(8-2-3-8)16(5-11(12,13)14)10(17)9-4-18-6-15-9/h7-9,15H,2-6H2,1H3
InChIKeyRMISNYAUJSLGPC-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.84
Rot. Bonds4

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

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54870138) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54870138
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C11H17F3N2OS/c1-7(8-2-3-8)16(5-11(12,13)14)10(17)9-4-18-6-15-9/h7-9,15H,2-6H2,1H3
InChIKeyRMISNYAUJSLGPC-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 54870138) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is RMISNYAUJSLGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-7(8-2-3-8)16(5-11(12,13)14)10(17)9-4-18-6-15-9/h7-9,15H,2-6H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54870138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).