2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C19H24F3N3OS — CID 60501229

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H24F3N3OS/c1-13(2)25(12-19(20,21)22)17(26)11-24-9-7-14(8-10-24)18-23-15-5-3-4-6-16(15)27-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLGHQYBPILXQDIR-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.28
Rot. Bonds5

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

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60501229) has the molecular formula C19H24F3N3OS and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60501229
Molecular FormulaC19H24F3N3OS
Molecular Weight399.48 g/mol
Exact Mass399.16
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H24F3N3OS/c1-13(2)25(12-19(20,21)22)17(26)11-24-9-7-14(8-10-24)18-23-15-5-3-4-6-16(15)27-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLGHQYBPILXQDIR-UHFFFAOYSA-N
XLogP4.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9336826
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41167070
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1429688
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
4-[[(3S)-3-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 51137070
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 41203572
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 4825491

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 60501229) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)CN1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LGHQYBPILXQDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3OS/c1-13(2)25(12-19(20,21)22)17(26)11-24-9-7-14(8-10-24)18-23-15-5-3-4-6-16(15)27-18/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 399.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60501229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).