2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C16H17N5OS — CID 166262777

IUPAC2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc2nsnc12)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C16H17N5OS/c22-14(10-12-2-1-3-13-15(12)20-23-19-13)21-8-4-11(5-9-21)16-17-6-7-18-16/h1-3,6-7,11H,4-5,8-10H2,(H,17,18)
InChIKeyKDEIESFAZQDAFC-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.36
Rot. Bonds3

About 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 166262777) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID166262777
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc2nsnc12)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C16H17N5OS/c22-14(10-12-2-1-3-13-15(12)20-23-19-13)21-8-4-11(5-9-21)16-17-6-7-18-16/h1-3,6-7,11H,4-5,8-10H2,(H,17,18)
InChIKeyKDEIESFAZQDAFC-UHFFFAOYSA-N
XLogP2.36
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70739869
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 95895283
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 110725800
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 166262777) is 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is O=C(Cc1cccc2nsnc12)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is KDEIESFAZQDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-14(10-12-2-1-3-13-15(12)20-23-19-13)21-8-4-11(5-9-21)16-17-6-7-18-16/h1-3,6-7,11H,4-5,8-10H2,(H,17,18).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 327.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 166262777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).