1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

C11H13F3N4O2S — CID 132846571

IUPAC1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H13F3N4O2S/c1-6(19)18-4-2-3-7(5-18)8(20)15-10-17-16-9(21-10)11(12,13)14/h7H,2-5H2,1H3,(H,15,17,20)
InChIKeyUUKSEFNVLPYFHF-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.75
Rot. Bonds2

About 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 132846571) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
PubChem CID132846571
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H13F3N4O2S/c1-6(19)18-4-2-3-7(5-18)8(20)15-10-17-16-9(21-10)11(12,13)14/h7H,2-5H2,1H3,(H,15,17,20)
InChIKeyUUKSEFNVLPYFHF-UHFFFAOYSA-N
XLogP1.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 86987803
3-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55978635
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
5-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122101924
(3R)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7336940
1-[[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122087159
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119705195
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47988948
(3S)-1-(2,2-dimethylpropanoyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 94857759
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 20629112
1-acetylpiperidine-3-carboxylic acid
CID 14043896

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide (CID 132846571) is 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is UUKSEFNVLPYFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c1-6(19)18-4-2-3-7(5-18)8(20)15-10-17-16-9(21-10)11(12,13)14/h7H,2-5H2,1H3,(H,15,17,20).
What are the key properties of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide?
1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 132846571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).