[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C16H14F3N3O2S — CID 26332398

IUPAC[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)12-5-3-10(4-6-12)14(23)11-2-1-7-22(9-11)15(24)13-8-20-25-21-13/h3-6,8,11H,1-2,7,9H2/t11-/m0/s1
InChIKeyCPOGDPXMHNUXMI-NSHDSACASA-N
MW369.37 g/mol
LogP3.29
Rot. Bonds3

About [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 26332398) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID26332398
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cnsn2)C1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)12-5-3-10(4-6-12)14(23)11-2-1-7-22(9-11)15(24)13-8-20-25-21-13/h3-6,8,11H,1-2,7,9H2/t11-/m0/s1
InChIKeyCPOGDPXMHNUXMI-NSHDSACASA-N
XLogP3.29
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
4,6-dimethyl-3-[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45232640
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
[(3S)-1-(3-chlorothiophene-2-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25308789
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 26332398) is [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)c2cnsn2)C1.
What is the InChIKey of [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is CPOGDPXMHNUXMI-NSHDSACASA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c17-16(18,19)12-5-3-10(4-6-12)14(23)11-2-1-7-22(9-11)15(24)13-8-20-25-21-13/h3-6,8,11H,1-2,7,9H2/t11-/m0/s1.
What are the key properties of [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 369.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1,2,5-thiadiazole-3-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 26332398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).