3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide

C16H15F3N4O2S — CID 133462505

IUPAC3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(N2CCCC(n3ccc(C(F)(F)F)n3)C2)c2ccccc21
InChIInChI=1S/C16H15F3N4O2S/c17-16(18,19)14-7-9-23(20-14)11-4-3-8-22(10-11)15-12-5-1-2-6-13(12)26(24,25)21-15/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyOVTIKAYJDDJYGL-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.69
Rot. Bonds1

About 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide

3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide (PubChem CID 133462505) has the molecular formula C16H15F3N4O2S and a molecular weight of 384.38 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
PubChem CID133462505
Molecular FormulaC16H15F3N4O2S
Molecular Weight384.38 g/mol
Exact Mass384.09
IUPAC Name3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(N2CCCC(n3ccc(C(F)(F)F)n3)C2)c2ccccc21
InChIInChI=1S/C16H15F3N4O2S/c17-16(18,19)14-7-9-23(20-14)11-4-3-8-22(10-11)15-12-5-1-2-6-13(12)26(24,25)21-15/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyOVTIKAYJDDJYGL-UHFFFAOYSA-N
XLogP2.69
TPSA67.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-3-amine;hydrochloride
CID 71644216
3-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 133431566
1-chloro-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]isoquinoline
CID 133450902
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate
CID 7131081
3-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 154735324
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 26157695
3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole
CID 133450761
3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1,2-benzothiazole 1,1-dioxide
CID 133352002
3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-benzothiazole 1,1-dioxide
CID 133328771
(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
2-benzyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452904
(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide (CID 133462505) is 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(N2CCCC(n3ccc(C(F)(F)F)n3)C2)c2ccccc21.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is OVTIKAYJDDJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S/c17-16(18,19)14-7-9-23(20-14)11-4-3-8-22(10-11)15-12-5-1-2-6-13(12)26(24,25)21-15/h1-2,5-7,9,11H,3-4,8,10H2.
What are the key properties of 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide?
3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 384.38 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 133462505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).