N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C8H14ClF3N2O2S — CID 119279324

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCC(F)(F)F)C1CSCN1
InChIInChI=1S/C8H13F3N2O2S.ClH/c9-8(10,11)4-15-2-1-12-7(14)6-3-16-5-13-6;/h6,13H,1-5H2,(H,12,14);1H
InChIKeyPQUUZXDNBIKPLF-UHFFFAOYSA-N
MW294.73 g/mol
LogP0.77
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119279324) has the molecular formula C8H14ClF3N2O2S and a molecular weight of 294.73 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119279324
Molecular FormulaC8H14ClF3N2O2S
Molecular Weight294.73 g/mol
Exact Mass294.04
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCC(F)(F)F)C1CSCN1
InChIInChI=1S/C8H13F3N2O2S.ClH/c9-8(10,11)4-15-2-1-12-7(14)6-3-16-5-13-6;/h6,13H,1-5H2,(H,12,14);1H
InChIKeyPQUUZXDNBIKPLF-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 50.77
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

N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide hydrochloride
CID 42947817
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 54871664
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 54871732
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
(2S)-2-amino-4-methylsulfanyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 63826551
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 63827767
N-(2-methoxyethyl)-N-(thiolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958006
N-[2-(2,2,2-trifluoroethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82916411
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103755811
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103770387
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103795762
N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103796480

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119279324) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCCOCC(F)(F)F)C1CSCN1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is PQUUZXDNBIKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S.ClH/c9-8(10,11)4-15-2-1-12-7(14)6-3-16-5-13-6;/h6,13H,1-5H2,(H,12,14);1H.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 294.73 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119279324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).