N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

C15H19F3N2O2S — CID 128758666

IUPACN-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nc(C2CCOCC2)cs1)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)14(5-1-2-6-14)12(21)20-13-19-11(9-23-13)10-3-7-22-8-4-10/h9-10H,1-8H2,(H,19,20,21)
InChIKeyYDPLIUCYGIPYSP-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.10
Rot. Bonds3

About N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide (PubChem CID 128758666) has the molecular formula C15H19F3N2O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
PubChem CID128758666
Molecular FormulaC15H19F3N2O2S
Molecular Weight348.39 g/mol
Exact Mass348.11
IUPAC NameN-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1nc(C2CCOCC2)cs1)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C15H19F3N2O2S/c16-15(17,18)14(5-1-2-6-14)12(21)20-13-19-11(9-23-13)10-3-7-22-8-4-10/h9-10H,1-8H2,(H,19,20,21)
InChIKeyYDPLIUCYGIPYSP-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide (CID 128758666) is N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide is O=C(Nc1nc(C2CCOCC2)cs1)C1(C(F)(F)F)CCCC1.
What is the InChIKey of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is YDPLIUCYGIPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2S/c16-15(17,18)14(5-1-2-6-14)12(21)20-13-19-11(9-23-13)10-3-7-22-8-4-10/h9-10H,1-8H2,(H,19,20,21).
What are the key properties of N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 128758666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).