4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

C14H19F3N4O2S — CID 3874935

IUPAC4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC1CCCCN1C(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H19F3N4O2S/c1-2-9-5-3-4-8-21(9)11(23)7-6-10(22)18-13-20-19-12(24-13)14(15,16)17/h9H,2-8H2,1H3,(H,18,20,22)
InChIKeyVKDCEMMWHOUHOT-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.07
Rot. Bonds5

About 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 3874935) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID3874935
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC1CCCCN1C(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H19F3N4O2S/c1-2-9-5-3-4-8-21(9)11(23)7-6-10(22)18-13-20-19-12(24-13)14(15,16)17/h9H,2-8H2,1H3,(H,18,20,22)
InChIKeyVKDCEMMWHOUHOT-UHFFFAOYSA-N
XLogP3.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 3874935) is 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is CCC1CCCCN1C(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is VKDCEMMWHOUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c1-2-9-5-3-4-8-21(9)11(23)7-6-10(22)18-13-20-19-12(24-13)14(15,16)17/h9H,2-8H2,1H3,(H,18,20,22).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 364.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 3874935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).