4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide

C17H28N4O2S — CID 4033235

IUPAC4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C17H28N4O2S/c1-11(2)7-15-19-20-17(24-15)18-14(22)5-6-16(23)21-9-12(3)8-13(4)10-21/h11-13H,5-10H2,1-4H3,(H,18,20,22)
InChIKeyXZZFZSVOVSMAEA-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.96
Rot. Bonds6

About 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide

4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (PubChem CID 4033235) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
PubChem CID4033235
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C17H28N4O2S/c1-11(2)7-15-19-20-17(24-15)18-14(22)5-6-16(23)21-9-12(3)8-13(4)10-21/h11-13H,5-10H2,1-4H3,(H,18,20,22)
InChIKeyXZZFZSVOVSMAEA-UHFFFAOYSA-N
XLogP2.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 939105
N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 941794
N-cyclopropyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 943323
4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 664087
N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1399018
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 944624
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-4-(4-methylpiperidin-1-YL)-4-oxobutanamide
CID 663862
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
N-Cyclooctyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1602787

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide (CID 4033235) is 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC(C)CC(C)C2)s1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
The InChIKey is XZZFZSVOVSMAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-11(2)7-15-19-20-17(24-15)18-14(22)5-6-16(23)21-9-12(3)8-13(4)10-21/h11-13H,5-10H2,1-4H3,(H,18,20,22).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide?
4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide has a molecular weight of 352.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 4033235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).