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

C16H18F3N3OS — CID 67453122

IUPAC2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(F)(F)F)CC1c1nc2ccccc2s1
InChIInChI=1S/C16H18F3N3OS/c17-16(18,19)9-22-6-5-10(7-14(20)23)11(8-22)15-21-12-3-1-2-4-13(12)24-15/h1-4,10-11H,5-9H2,(H2,20,23)
InChIKeyLPUGQVFARPPVEY-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.14
Rot. Bonds4

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

2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (PubChem CID 67453122) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
PubChem CID67453122
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(F)(F)F)CC1c1nc2ccccc2s1
InChIInChI=1S/C16H18F3N3OS/c17-16(18,19)9-22-6-5-10(7-14(20)23)11(8-22)15-21-12-3-1-2-4-13(12)24-15/h1-4,10-11H,5-9H2,(H2,20,23)
InChIKeyLPUGQVFARPPVEY-UHFFFAOYSA-N
XLogP3.14
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60501229
1-[3-(1,3-benzothiazol-2-yl)propyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 78886439
4-[[(3S)-3-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 51137070
(2S)-2-(1,3-benzothiazol-2-yl)-3-oxo-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanenitrile
CID 94195968
cis-(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 51674035
(1R,6S)-6-(1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 51934202
(1S,6S)-6-(1,3-benzothiazol-2-yl)-N-(2,2,2-trifluoroethyl)cyclohex-3-ene-1-carboxamide
CID 51934200
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641610
1-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111916068
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 41137647
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43010643
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide (CID 67453122) is 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(CC(F)(F)F)CC1c1nc2ccccc2s1.
What is the InChIKey of 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
The InChIKey is LPUGQVFARPPVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c17-16(18,19)9-22-6-5-10(7-14(20)23)11(8-22)15-21-12-3-1-2-4-13(12)24-15/h1-4,10-11H,5-9H2,(H2,20,23).
What are the key properties of 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide?
2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide has a molecular weight of 357.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzothiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 67453122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).