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

C8H13F3N2OS — CID 142040155

IUPAC2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)NC(C(=O)NCC(F)(F)F)CS1
InChIInChI=1S/C8H13F3N2OS/c1-7(2)13-5(3-15-7)6(14)12-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyHWMBVFMDIDQOAO-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.11
Rot. Bonds2

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

2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 142040155) has the molecular formula C8H13F3N2OS and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID142040155
Molecular FormulaC8H13F3N2OS
Molecular Weight242.27 g/mol
Exact Mass242.07
IUPAC Name2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC1(C)NC(C(=O)NCC(F)(F)F)CS1
InChIInChI=1S/C8H13F3N2OS/c1-7(2)13-5(3-15-7)6(14)12-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyHWMBVFMDIDQOAO-UHFFFAOYSA-N
XLogP1.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanethioic acid, S-(2-((4-thiazolidinylcarbonyl)amino)ethyl) ester, (R)-, mono(trifluoroacetate)
CID 3073246
N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 43263478
N-(butan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002788
N-butyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002789
N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002791
N-cyclopropyl-N-methyl-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002810
2-(2,2-difluoroethylsulfanyl)-N-(2-oxothiolan-3-yl)acetamide
CID 154707014
5-oxo-N-(2,2,2-trifluoroethyl)-1,4-thiazepane-3-carboxamide
CID 71798103
N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 24697372
(4R)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 59076072
2,2,2-trifluoro-N-[[(4R)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 59316828
(2S)-2-[2-oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
CID 59473895

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide (CID 142040155) is 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is CC1(C)NC(C(=O)NCC(F)(F)F)CS1.
What is the InChIKey of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HWMBVFMDIDQOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2OS/c1-7(2)13-5(3-15-7)6(14)12-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide?
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 142040155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).