N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide

C7H11F3N2OS2 — CID 103630036

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1CSCN1
InChIInChI=1S/C7H11F3N2OS2/c8-7(9,10)15-2-1-11-6(13)5-3-14-4-12-5/h5,12H,1-4H2,(H,11,13)
InChIKeyWROCXYBJRQLNTN-UHFFFAOYSA-N
MW260.31 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 103630036) has the molecular formula C7H11F3N2OS2 and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID103630036
Molecular FormulaC7H11F3N2OS2
Molecular Weight260.31 g/mol
Exact Mass260.03
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1CSCN1
InChIInChI=1S/C7H11F3N2OS2/c8-7(9,10)15-2-1-11-6(13)5-3-14-4-12-5/h5,12H,1-4H2,(H,11,13)
InChIKeyWROCXYBJRQLNTN-UHFFFAOYSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide
CID 145951907
Thiazolidin-3-yl(thiazolidin-4-yl)methanone
CID 6481656
N-ethyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 43263478
N-(butan-2-yl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 47002788
2-(2,2-difluoroethylsulfanyl)-N-(2-oxothiolan-3-yl)acetamide
CID 154707014
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
2,2,2-trifluoro-N-thiazolidin-4-ylmethyl-acetamide
CID 72254565
2-[2-Oxo-5-(2,2,2-trifluoroethyl)-1,3-thiazolidin-3-yl]butanamide
CID 72295296
2,2,2-trifluoro-N-[[(4S)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 89060539

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 103630036) is N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCSC(F)(F)F)C1CSCN1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WROCXYBJRQLNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2OS2/c8-7(9,10)15-2-1-11-6(13)5-3-14-4-12-5/h5,12H,1-4H2,(H,11,13).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103630036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).