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

C16H16F3N3OS — CID 30863955

IUPAC[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1nnc([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C16H16F3N3OS/c1-10-20-21-14(24-10)11-5-4-8-22(9-11)15(23)12-6-2-3-7-13(12)16(17,18)19/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyZBRNCDCMGISAOM-NSHDSACASA-N
MW355.39 g/mol
LogP3.89
Rot. Bonds2

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

[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 30863955) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID30863955
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1nnc([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)s1
InChIInChI=1S/C16H16F3N3OS/c1-10-20-21-14(24-10)11-5-4-8-22(9-11)15(23)12-6-2-3-7-13(12)16(17,18)19/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyZBRNCDCMGISAOM-NSHDSACASA-N
XLogP3.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-phenylmethanone
CID 30863910
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(3-chlorophenyl)-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863924
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
5-[1-(2-fluorobenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50817168
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863871
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
N-phenyl-5-[(3R)-1-[[2-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879752
cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 51896016
N-(4-methylphenyl)-5-[(2R)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 95070344
5-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088518

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 30863955) is [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is Cc1nnc([C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)s1.
What is the InChIKey of [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZBRNCDCMGISAOM-NSHDSACASA-N. The full InChI is InChI=1S/C16H16F3N3OS/c1-10-20-21-14(24-10)11-5-4-8-22(9-11)15(23)12-6-2-3-7-13(12)16(17,18)19/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 355.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 30863955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).