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

C10H17F3N2OS — CID 54871182

IUPACN-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C10H17F3N2OS/c1-2-3-4-15(6-10(11,12)13)9(16)8-5-17-7-14-8/h8,14H,2-7H2,1H3
InChIKeyVSVIGIZSRBMAML-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.84
Rot. Bonds5

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

N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54871182) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54871182
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C10H17F3N2OS/c1-2-3-4-15(6-10(11,12)13)9(16)8-5-17-7-14-8/h8,14H,2-7H2,1H3
InChIKeyVSVIGIZSRBMAML-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
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-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 54871182) is N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VSVIGIZSRBMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-2-3-4-15(6-10(11,12)13)9(16)8-5-17-7-14-8/h8,14H,2-7H2,1H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 270.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54871182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).