N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide

C11H17F3N2OS — CID 43711820

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CSCN1
InChIInChI=1S/C11H17F3N2OS/c12-11(13,14)7-2-1-3-8(4-7)16-10(17)9-5-18-6-15-9/h7-9,15H,1-6H2,(H,16,17)
InChIKeyXLTJPUASIOJIAR-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.89
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide

N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43711820) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43711820
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)C1CSCN1
InChIInChI=1S/C11H17F3N2OS/c12-11(13,14)7-2-1-3-8(4-7)16-10(17)9-5-18-6-15-9/h7-9,15H,1-6H2,(H,16,17)
InChIKeyXLTJPUASIOJIAR-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide (CID 43711820) is N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)C1CSCN1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XLTJPUASIOJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c12-11(13,14)7-2-1-3-8(4-7)16-10(17)9-5-18-6-15-9/h7-9,15H,1-6H2,(H,16,17).
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43711820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).