(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H19N3OS2 — CID 96576018

IUPAC(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C19H19N3OS2/c23-19(22-10-5-4-8-16(22)18-20-9-11-24-18)15-13-25-17(21-15)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2/t16-/m1/s1
InChIKeyGABOTOKZOPOZKH-MRXNPFEDSA-N
MW369.52 g/mol
LogP4.56
Rot. Bonds4

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

(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 96576018) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID96576018
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C19H19N3OS2/c23-19(22-10-5-4-8-16(22)18-20-9-11-24-18)15-13-25-17(21-15)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2/t16-/m1/s1
InChIKeyGABOTOKZOPOZKH-MRXNPFEDSA-N
XLogP4.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone 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

(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616726
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 94643513
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
(2-benzyl-1,3-thiazol-4-yl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 55986034
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
3-[1-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 120536762
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
(2-benzyl-1,3-thiazol-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75403114
(2R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371189

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 96576018) is (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1csc(Cc2ccccc2)n1)N1CCCC[C@@H]1c1nccs1.
What is the InChIKey of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GABOTOKZOPOZKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3OS2/c23-19(22-10-5-4-8-16(22)18-20-9-11-24-18)15-13-25-17(21-15)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2/t16-/m1/s1.
What are the key properties of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 369.52 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 96576018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).