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

C20H19N3OS — CID 94616726

IUPAC(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C20H19N3OS/c24-20(23-12-6-10-18(23)16-9-4-5-11-21-16)17-14-25-19(22-17)13-15-7-2-1-3-8-15/h1-5,7-9,11,14,18H,6,10,12-13H2/t18-/m1/s1
InChIKeyISJXTXQGXVMNOI-GOSISDBHSA-N
MW349.46 g/mol
LogP4.11
Rot. Bonds4

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

(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 94616726) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID94616726
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C20H19N3OS/c24-20(23-12-6-10-18(23)16-9-4-5-11-21-16)17-14-25-19(22-17)13-15-7-2-1-3-8-15/h1-5,7-9,11,14,18H,6,10,12-13H2/t18-/m1/s1
InChIKeyISJXTXQGXVMNOI-GOSISDBHSA-N
XLogP4.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018
[(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
(2R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371189
(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
CID 56701731
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
(2-benzyl-1,3-thiazol-4-yl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 55986034
(2-benzyl-1,3-thiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 39877890
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874
(2-benzyl-1,3-thiazol-4-yl)-(7-methyl-1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 136536280
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 94616726) is (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is ISJXTXQGXVMNOI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(23-12-6-10-18(23)16-9-4-5-11-21-16)17-14-25-19(22-17)13-15-7-2-1-3-8-15/h1-5,7-9,11,14,18H,6,10,12-13H2/t18-/m1/s1.
What are the key properties of (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94616726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).