N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

C10H16F3N3O2S — CID 54872029

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C10H16F3N3O2S/c1-15(2)8(17)3-16(5-10(11,12)13)9(18)7-4-19-6-14-7/h7,14H,3-6H2,1-2H3
InChIKeyXFNTYJLUMGFRLJ-UHFFFAOYSA-N
MW299.32 g/mol
LogP0.13
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54872029) has the molecular formula C10H16F3N3O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54872029
Molecular FormulaC10H16F3N3O2S
Molecular Weight299.32 g/mol
Exact Mass299.09
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C10H16F3N3O2S/c1-15(2)8(17)3-16(5-10(11,12)13)9(18)7-4-19-6-14-7/h7,14H,3-6H2,1-2H3
InChIKeyXFNTYJLUMGFRLJ-UHFFFAOYSA-N
XLogP0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 54872029) is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XFNTYJLUMGFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2S/c1-15(2)8(17)3-16(5-10(11,12)13)9(18)7-4-19-6-14-7/h7,14H,3-6H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 299.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54872029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).