N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide

C9H14F3N3O2S — CID 54871664

IUPACN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C9H14F3N3O2S/c1-15(8(17)6-3-18-5-14-6)2-7(16)13-4-9(10,11)12/h6,14H,2-5H2,1H3,(H,13,16)
InChIKeyFNCUMYKXUKKOSW-UHFFFAOYSA-N
MW285.29 g/mol
LogP-0.21
Rot. Bonds4

About N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide

N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 54871664) has the molecular formula C9H14F3N3O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID54871664
Molecular FormulaC9H14F3N3O2S
Molecular Weight285.29 g/mol
Exact Mass285.08
IUPAC NameN-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)C1CSCN1
InChIInChI=1S/C9H14F3N3O2S/c1-15(8(17)6-3-18-5-14-6)2-7(16)13-4-9(10,11)12/h6,14H,2-5H2,1H3,(H,13,16)
InChIKeyFNCUMYKXUKKOSW-UHFFFAOYSA-N
XLogP-0.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide (CID 54871664) is N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)C1CSCN1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FNCUMYKXUKKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S/c1-15(8(17)6-3-18-5-14-6)2-7(16)13-4-9(10,11)12/h6,14H,2-5H2,1H3,(H,13,16).
What are the key properties of N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 285.29 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54871664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).