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

C20H25FN4OS — CID 58430691

IUPAC1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H25FN4OS/c1-14(26)15-5-6-18(21)17(13-15)19-22-23-20(27-19)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12H2,1H3
InChIKeyMKADCRGNJFVBAG-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.00
Rot. Bonds4

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

1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 58430691) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
PubChem CID58430691
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H25FN4OS/c1-14(26)15-5-6-18(21)17(13-15)19-22-23-20(27-19)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12H2,1H3
InChIKeyMKADCRGNJFVBAG-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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
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
N-butyl-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 174634864
3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444804
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-N-propylbenzamide
CID 1444834
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethyl-N-propylbenzamide
CID 1444838
N-butyl-4-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230599
N-butyl-3-fluoro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230603
N-butyl-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethylbenzamide
CID 3230637

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 58430691) is 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1ccc(F)c(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1.
What is the InChIKey of 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The InChIKey is MKADCRGNJFVBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-14(26)15-5-6-18(21)17(13-15)19-22-23-20(27-19)25-11-7-16(8-12-25)24-9-3-2-4-10-24/h5-6,13,16H,2-4,7-12H2,1H3.
What are the key properties of 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone has a molecular weight of 388.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 58430691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).