N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide

C12H14F3N3O2S — CID 71983926

IUPACN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1cscn1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-3-1-8(2-4-18)5-16-10(19)9-6-21-7-17-9/h6-8H,1-5H2,(H,16,19)
InChIKeyXZNKFICFJVOFLI-UHFFFAOYSA-N
MW321.32 g/mol
LogP1.67
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 71983926) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID71983926
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1cscn1
InChIInChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-3-1-8(2-4-18)5-16-10(19)9-6-21-7-17-9/h6-8H,1-5H2,(H,16,19)
InChIKeyXZNKFICFJVOFLI-UHFFFAOYSA-N
XLogP1.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 71983926) is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1cscn1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XZNKFICFJVOFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c13-12(14,15)11(20)18-3-1-8(2-4-18)5-16-10(19)9-6-21-7-17-9/h6-8H,1-5H2,(H,16,19).
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 321.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71983926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).