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

C20H26N4OS — CID 53319170

IUPAC1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H26N4OS/c1-15(25)16-6-5-7-17(14-16)19-21-22-20(26-19)24-12-8-18(9-13-24)23-10-3-2-4-11-23/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyMFTIZYIOACEQCN-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.86
Rot. Bonds4

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

1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 53319170) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
PubChem CID53319170
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H26N4OS/c1-15(25)16-6-5-7-17(14-16)19-21-22-20(26-19)24-12-8-18(9-13-24)23-10-3-2-4-11-23/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyMFTIZYIOACEQCN-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-[4-[5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 53320008
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-(3-Methylphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317857
1-[4-Fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 58430691
(4-Fluorophenyl)-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 133530285
1-[4-[5-(4-Ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 45376941
1-[3-[5-(4-Methyl-4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 58430428
1-[2-[5-[4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 58430545
1-[3-[5-(4-Aminopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 58430556
1-[2-[5-[4-(2-Methylpiperidin-1-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]phenyl]ethanone
CID 58430637

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 53319170) is 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1.
What is the InChIKey of 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The InChIKey is MFTIZYIOACEQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15(25)16-6-5-7-17(14-16)19-21-22-20(26-19)24-12-8-18(9-13-24)23-10-3-2-4-11-23/h5-7,14,18H,2-4,8-13H2,1H3.
What are the key properties of 1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
1-[3-[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-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 53319170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).