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

C6H10ClF3N2OS — CID 42947817

IUPACN-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1CSCN1
InChIInChI=1S/C6H9F3N2OS.ClH/c7-6(8,9)2-10-5(12)4-1-13-3-11-4;/h4,11H,1-3H2,(H,10,12);1H
InChIKeyXJBZRJYXTSODGB-UHFFFAOYSA-N
MW250.67 g/mol
LogP0.75
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 42947817) has the molecular formula C6H10ClF3N2OS and a molecular weight of 250.67 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID42947817
Molecular FormulaC6H10ClF3N2OS
Molecular Weight250.67 g/mol
Exact Mass250.02
IUPAC NameN-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)C1CSCN1
InChIInChI=1S/C6H9F3N2OS.ClH/c7-6(8,9)2-10-5(12)4-1-13-3-11-4;/h4,11H,1-3H2,(H,10,12);1H
InChIKeyXJBZRJYXTSODGB-UHFFFAOYSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.67
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 42947817) is N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCC(F)(F)F)C1CSCN1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is XJBZRJYXTSODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2OS.ClH/c7-6(8,9)2-10-5(12)4-1-13-3-11-4;/h4,11H,1-3H2,(H,10,12);1H.
What are the key properties of N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 250.67 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 42947817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).