5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole

C15H20N4OS — CID 155983994

IUPAC5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole
SMILESCOCCN1CCCC1c1nccnc1-c1scnc1C
InChIInChI=1S/C15H20N4OS/c1-11-15(21-10-18-11)14-13(16-5-6-17-14)12-4-3-7-19(12)8-9-20-2/h5-6,10,12H,3-4,7-9H2,1-2H3
InChIKeyIBVMZLOGMKTIJI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.69
Rot. Bonds5

About 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole

5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 155983994) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole
PubChem CID155983994
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole
SMILESCOCCN1CCCC1c1nccnc1-c1scnc1C
InChIInChI=1S/C15H20N4OS/c1-11-15(21-10-18-11)14-13(16-5-6-17-14)12-4-3-7-19(12)8-9-20-2/h5-6,10,12H,3-4,7-9H2,1-2H3
InChIKeyIBVMZLOGMKTIJI-UHFFFAOYSA-N
XLogP2.69
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95823694
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 95823698
4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
2-methoxy-N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63854611
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
2-(4-methyl-1,3-thiazol-5-yl)-5-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1,3,4-oxadiazole
CID 110217514
2-(1-methylimidazol-2-yl)-3-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124941674
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
(4aS,8aS)-4-(2-methoxyethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 98895400

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole (CID 155983994) is 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole is COCCN1CCCC1c1nccnc1-c1scnc1C.
What is the InChIKey of 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is IBVMZLOGMKTIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-15(21-10-18-11)14-13(16-5-6-17-14)12-4-3-7-19(12)8-9-20-2/h5-6,10,12H,3-4,7-9H2,1-2H3.
What are the key properties of 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole?
5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 155983994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).