2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

C20H21N3OS — CID 95724370

IUPAC2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1-c1ncc(CN2CCC[C@@H]2c2ccccn2)s1
InChIInChI=1S/C20H21N3OS/c1-24-19-10-3-2-7-16(19)20-22-13-15(25-20)14-23-12-6-9-18(23)17-8-4-5-11-21-17/h2-5,7-8,10-11,13,18H,6,9,12,14H2,1H3/t18-/m1/s1
InChIKeyFWTDAONVKRWIMG-GOSISDBHSA-N
MW351.48 g/mol
LogP4.55
Rot. Bonds5

About 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95724370) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID95724370
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1-c1ncc(CN2CCC[C@@H]2c2ccccn2)s1
InChIInChI=1S/C20H21N3OS/c1-24-19-10-3-2-7-16(19)20-22-13-15(25-20)14-23-12-6-9-18(23)17-8-4-5-11-21-17/h2-5,7-8,10-11,13,18H,6,9,12,14H2,1H3/t18-/m1/s1
InChIKeyFWTDAONVKRWIMG-GOSISDBHSA-N
XLogP4.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 135119860
(3S,8aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 171322080
3-methyl-4-[(2R)-1-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
CID 95122685
5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97159617
3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 77080675
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
5-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45219769
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (CID 95724370) is 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is COc1ccccc1-c1ncc(CN2CCC[C@@H]2c2ccccn2)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FWTDAONVKRWIMG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-24-19-10-3-2-7-16(19)20-22-13-15(25-20)14-23-12-6-9-18(23)17-8-4-5-11-21-17/h2-5,7-8,10-11,13,18H,6,9,12,14H2,1H3/t18-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 351.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95724370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).