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

C20H26N4OS — CID 45377916

IUPAC1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C20H26N4OS/c1-15(25)17-7-3-4-8-18(17)19-21-22-20(26-19)24-13-9-16(10-14-24)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyCYPUJBVHYHFNKK-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.86
Rot. Bonds4

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

1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (PubChem CID 45377916) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
PubChem CID45377916
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C20H26N4OS/c1-15(25)17-7-3-4-8-18(17)19-21-22-20(26-19)24-13-9-16(10-14-24)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyCYPUJBVHYHFNKK-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

Analyze 1-[2-[5-(4-piperidin-1-ylpiperidin-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

Related Compounds

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
2-(1,4''-Bipiperidin-1''-yl)-5-o-tolyl-1,3,4-thiadiazole
CID 53320491
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-2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230555
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbenzamide
CID 1444730
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone (CID 45377916) is 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
The InChIKey is CYPUJBVHYHFNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15(25)17-7-3-4-8-18(17)19-21-22-20(26-19)24-13-9-16(10-14-24)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3.
What are the key properties of 1-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone?
1-[2-[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-[2-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 45377916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).