N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide

C15H24N4O2S — CID 942712

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-11(2)10-13-17-18-15(22-13)16-12(20)6-7-14(21)19-8-4-3-5-9-19/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyVUHHVSUOPXYTBG-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.47
Rot. Bonds6

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide (PubChem CID 942712) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
PubChem CID942712
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-11(2)10-13-17-18-15(22-13)16-12(20)6-7-14(21)19-8-4-3-5-9-19/h11H,3-10H2,1-2H3,(H,16,18,20)
InChIKeyVUHHVSUOPXYTBG-UHFFFAOYSA-N
XLogP2.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.47
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 N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide (CID 942712) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide is CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
The InChIKey is VUHHVSUOPXYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11(2)10-13-17-18-15(22-13)16-12(20)6-7-14(21)19-8-4-3-5-9-19/h11H,3-10H2,1-2H3,(H,16,18,20).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide has a molecular weight of 324.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 942712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).