[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C18H18N4OS — CID 124505736

IUPAC[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C18H18N4OS/c23-18(15-12-24-17(21-15)13-5-2-1-3-6-13)22-10-4-7-14(11-22)16-19-8-9-20-16/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyAQNDCASSDOSHLO-CQSZACIVSA-N
MW338.44 g/mol
LogP3.55
Rot. Bonds3

About [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 124505736) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID124505736
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2ncc[nH]2)C1
InChIInChI=1S/C18H18N4OS/c23-18(15-12-24-17(21-15)13-5-2-1-3-6-13)22-10-4-7-14(11-22)16-19-8-9-20-16/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyAQNDCASSDOSHLO-CQSZACIVSA-N
XLogP3.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 51926476
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 58924870
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70709077
(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 124505736) is [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2ncc[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is AQNDCASSDOSHLO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(15-12-24-17(21-15)13-5-2-1-3-6-13)22-10-4-7-14(11-22)16-19-8-9-20-16/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,19,20)/t14-/m1/s1.
What are the key properties of [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 338.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124505736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).