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

C20H26N4OS — CID 53320008

IUPAC1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C20H26N4OS/c1-15(25)16-5-7-17(8-6-16)19-21-22-20(26-19)24-13-9-18(10-14-24)23-11-3-2-4-12-23/h5-8,18H,2-4,9-14H2,1H3
InChIKeyDGBSDVLLPRGLHU-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.86
Rot. Bonds4

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

1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 53320008) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
PubChem CID53320008
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1
InChIInChI=1S/C20H26N4OS/c1-15(25)16-5-7-17(8-6-16)19-21-22-20(26-19)24-13-9-18(10-14-24)23-11-3-2-4-12-23/h5-8,18H,2-4,9-14H2,1H3
InChIKeyDGBSDVLLPRGLHU-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 45377916
1-[3-[5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 53319170
N,N-dimethyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 58430715
Azetidin-1-yl-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]methanone
CID 58430796
2-(4-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53319171
N-butyl-2-fluoro-N-[5-(4-prop-2-enylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 58390963
1-[4-Fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 58430691
Tert-butyl 4-[5-[4-(dimethylcarbamoyl)-3-fluorophenyl]-1,3,4-thiadiazol-2-yl]-3-methylpiperazine-1-carboxylate
CID 166030626
2-fluoro-N,N-dimethyl-4-[5-(2-methylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 166030930
[1-[5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 133456606
(4-Fluorophenyl)-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 133530285
1-[4-[5-(1-Octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 20729335

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 53320008) is 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)cc1.
What is the InChIKey of 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The InChIKey is DGBSDVLLPRGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15(25)16-5-7-17(8-6-16)19-21-22-20(26-19)24-13-9-18(10-14-24)23-11-3-2-4-12-23/h5-8,18H,2-4,9-14H2,1H3.
What are the key properties of 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone has a molecular weight of 370.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 53320008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).