[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

C17H17N5OS — CID 124621634

IUPAC[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17N5OS/c23-17(15-11-19-21-24-15)22-9-5-4-8-14(22)16-18-10-13(20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,18,20)/t14-/m1/s1
InChIKeyGQANJTQMZNHLGY-CQSZACIVSA-N
MW339.42 g/mol
LogP3.30
Rot. Bonds3

About [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone

[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 124621634) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID124621634
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17N5OS/c23-17(15-11-19-21-24-15)22-9-5-4-8-14(22)16-18-10-13(20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,18,20)/t14-/m1/s1
InChIKeyGQANJTQMZNHLGY-CQSZACIVSA-N
XLogP3.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-pyran-5-yl-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124621595
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea
CID 119037018
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 124621608
(5-chloroisoquinolin-1-yl)-[(2S)-2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 141434979
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 86818687
N-[2-[2-[5-[4-[4-[2-[1-(2-formamido-2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]formamide
CID 87286364
(2R)-2-amino-1-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 71101886

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 124621634) is [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is GQANJTQMZNHLGY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(15-11-19-21-24-15)22-9-5-4-8-14(22)16-18-10-13(20-16)12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8-9H2,(H,18,20)/t14-/m1/s1.
What are the key properties of [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone?
[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 124621634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).