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

C14H19F3N4O2S — CID 17224427

IUPAC1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H19F3N4O2S/c1-13(2,3)11(23)21-6-4-8(5-7-21)9(22)18-12-20-19-10(24-12)14(15,16)17/h8H,4-7H2,1-3H3,(H,18,20,22)
InChIKeyRFXDDNHHNCUOSM-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.78
Rot. Bonds2

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

1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 17224427) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID17224427
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H19F3N4O2S/c1-13(2,3)11(23)21-6-4-8(5-7-21)9(22)18-12-20-19-10(24-12)14(15,16)17/h8H,4-7H2,1-3H3,(H,18,20,22)
InChIKeyRFXDDNHHNCUOSM-UHFFFAOYSA-N
XLogP2.78
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.78
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-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 17224427) is 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is RFXDDNHHNCUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c1-13(2,3)11(23)21-6-4-8(5-7-21)9(22)18-12-20-19-10(24-12)14(15,16)17/h8H,4-7H2,1-3H3,(H,18,20,22).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 17224427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).