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

C14H24N4OS — CID 72916576

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCCc1nnc(CNC(=O)CCCN2CCCCC2)s1
InChIInChI=1S/C14H24N4OS/c1-2-13-16-17-14(20-13)11-15-12(19)7-6-10-18-8-4-3-5-9-18/h2-11H2,1H3,(H,15,19)
InChIKeyBXTYBKLDDZZNIW-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.98
Rot. Bonds7

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

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide (PubChem CID 72916576) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide
PubChem CID72916576
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCCc1nnc(CNC(=O)CCCN2CCCCC2)s1
InChIInChI=1S/C14H24N4OS/c1-2-13-16-17-14(20-13)11-15-12(19)7-6-10-18-8-4-3-5-9-18/h2-11H2,1H3,(H,15,19)
InChIKeyBXTYBKLDDZZNIW-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide (CID 72916576) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide is CCc1nnc(CNC(=O)CCCN2CCCCC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide?
The InChIKey is BXTYBKLDDZZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-13-16-17-14(20-13)11-15-12(19)7-6-10-18-8-4-3-5-9-18/h2-11H2,1H3,(H,15,19).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide has a molecular weight of 296.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72916576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).