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

C11H13F3N4O2S — CID 6464938

IUPAC1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H13F3N4O2S/c1-6(19)18-4-2-7(3-5-18)8(20)15-10-17-16-9(21-10)11(12,13)14/h7H,2-5H2,1H3,(H,15,17,20)
InChIKeyLSXMDLDXDZGDSB-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.75
Rot. Bonds2

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

1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 6464938) 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-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID6464938
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H13F3N4O2S/c1-6(19)18-4-2-7(3-5-18)8(20)15-10-17-16-9(21-10)11(12,13)14/h7H,2-5H2,1H3,(H,15,17,20)
InChIKeyLSXMDLDXDZGDSB-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

4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-4-(4-methylpiperidin-1-YL)-4-oxobutanamide
CID 663862
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
4-(4-cyclopentylpiperazin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 664191
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 3547284
4-(2-methylpiperidin-1-yl)-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 3776282
4-(3,5-dimethyl-1-piperidinyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
CID 4033235
4-(4-methylpiperidin-1-yl)-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 941895
4-(4-methylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 945535
4-(4-methylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 1394550
4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3874935
1-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 45821452

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 6464938) is 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is LSXMDLDXDZGDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c1-6(19)18-4-2-7(3-5-18)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-4-carboxamide?
1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 6464938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).