3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide

C13H21F3N2O2S — CID 56826360

IUPAC3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1CSCN1C(=O)C(C)(C)C
InChIInChI=1S/C13H21F3N2O2S/c1-12(2,3)11(20)18-8-21-7-9(18)10(19)17(4)6-5-13(14,15)16/h9H,5-8H2,1-4H3
InChIKeyBCYARQBWTCFPIJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.34
Rot. Bonds3

About 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide

3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 56826360) has the molecular formula C13H21F3N2O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID56826360
Molecular FormulaC13H21F3N2O2S
Molecular Weight326.38 g/mol
Exact Mass326.13
IUPAC Name3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1CSCN1C(=O)C(C)(C)C
InChIInChI=1S/C13H21F3N2O2S/c1-12(2,3)11(20)18-8-21-7-9(18)10(19)17(4)6-5-13(14,15)16/h9H,5-8H2,1-4H3
InChIKeyBCYARQBWTCFPIJ-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide (CID 56826360) is 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide is CN(CCC(F)(F)F)C(=O)C1CSCN1C(=O)C(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BCYARQBWTCFPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2S/c1-12(2,3)11(20)18-8-21-7-9(18)10(19)17(4)6-5-13(14,15)16/h9H,5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide?
3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 56826360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).