1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone

C15H18N4OS — CID 58430556

IUPAC1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nnc(N3CCC(N)CC3)s2)c1
InChIInChI=1S/C15H18N4OS/c1-10(20)11-3-2-4-12(9-11)14-17-18-15(21-14)19-7-5-13(16)6-8-19/h2-4,9,13H,5-8,16H2,1H3
InChIKeyLGWBUMCOOLQBJN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.34
Rot. Bonds3

About 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone

1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 58430556) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
PubChem CID58430556
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nnc(N3CCC(N)CC3)s2)c1
InChIInChI=1S/C15H18N4OS/c1-10(20)11-3-2-4-12(9-11)14-17-18-15(21-14)19-7-5-13(16)6-8-19/h2-4,9,13H,5-8,16H2,1H3
InChIKeyLGWBUMCOOLQBJN-UHFFFAOYSA-N
XLogP2.34
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 58430556) is 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nnc(N3CCC(N)CC3)s2)c1.
What is the InChIKey of 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The InChIKey is LGWBUMCOOLQBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(20)11-3-2-4-12(9-11)14-17-18-15(21-14)19-7-5-13(16)6-8-19/h2-4,9,13H,5-8,16H2,1H3.
What are the key properties of 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 58430556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).