N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide

C15H16F3N3OS — CID 71996631

IUPACN-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1
InChIInChI=1S/C15H16F3N3OS/c1-9(22)19-11-4-6-21(7-5-11)14-20-12-8-10(15(16,17)18)2-3-13(12)23-14/h2-3,8,11H,4-7H2,1H3,(H,19,22)
InChIKeyVILWAJJXCYRAJG-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.42
Rot. Bonds2

About N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide

N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide (PubChem CID 71996631) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
PubChem CID71996631
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1
InChIInChI=1S/C15H16F3N3OS/c1-9(22)19-11-4-6-21(7-5-11)14-20-12-8-10(15(16,17)18)2-3-13(12)23-14/h2-3,8,11H,4-7H2,1H3,(H,19,22)
InChIKeyVILWAJJXCYRAJG-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide (CID 71996631) is N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide?
The InChIKey is VILWAJJXCYRAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-9(22)19-11-4-6-21(7-5-11)14-20-12-8-10(15(16,17)18)2-3-13(12)23-14/h2-3,8,11H,4-7H2,1H3,(H,19,22).
What are the key properties of N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide?
N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide has a molecular weight of 343.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 71996631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).