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

C16H21N3OS — CID 136558630

IUPAC2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCOCCc1ncc(CN2CCCC2c2cccnc2)s1
InChIInChI=1S/C16H21N3OS/c1-20-9-6-16-18-11-14(21-16)12-19-8-3-5-15(19)13-4-2-7-17-10-13/h2,4,7,10-11,15H,3,5-6,8-9,12H2,1H3
InChIKeyZAAQBWNZNMVEPU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.06
Rot. Bonds6

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

2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole (PubChem CID 136558630) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
PubChem CID136558630
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
SMILESCOCCc1ncc(CN2CCCC2c2cccnc2)s1
InChIInChI=1S/C16H21N3OS/c1-20-9-6-16-18-11-14(21-16)12-19-8-3-5-15(19)13-4-2-7-17-10-13/h2,4,7,10-11,15H,3,5-6,8-9,12H2,1H3
InChIKeyZAAQBWNZNMVEPU-UHFFFAOYSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole (CID 136558630) is 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole is COCCc1ncc(CN2CCCC2c2cccnc2)s1.
What is the InChIKey of 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZAAQBWNZNMVEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-20-9-6-16-18-11-14(21-16)12-19-8-3-5-15(19)13-4-2-7-17-10-13/h2,4,7,10-11,15H,3,5-6,8-9,12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole?
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 136558630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).