N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide

C11H14F3N3OS — CID 171327941

IUPACN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H14F3N3OS/c1-7(18)15-8-3-2-4-17(5-8)10-16-9(6-19-10)11(12,13)14/h6,8H,2-5H2,1H3,(H,15,18)
InChIKeyRSTKWRGSZHMJDP-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.27
Rot. Bonds2

About N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide

N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide (PubChem CID 171327941) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
PubChem CID171327941
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H14F3N3OS/c1-7(18)15-8-3-2-4-17(5-8)10-16-9(6-19-10)11(12,13)14/h6,8H,2-5H2,1H3,(H,15,18)
InChIKeyRSTKWRGSZHMJDP-UHFFFAOYSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide (CID 171327941) is N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide?
The InChIKey is RSTKWRGSZHMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-7(18)15-8-3-2-4-17(5-8)10-16-9(6-19-10)11(12,13)14/h6,8H,2-5H2,1H3,(H,15,18).
What are the key properties of N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide?
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide has a molecular weight of 293.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 171327941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).