4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine

C15H25N3OS — CID 126781884

IUPAC4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
SMILESCCc1nc(CN2CCC(CN3CCOCC3)C2)cs1
InChIInChI=1S/C15H25N3OS/c1-2-15-16-14(12-20-15)11-18-4-3-13(10-18)9-17-5-7-19-8-6-17/h12-13H,2-11H2,1H3
InChIKeyHLSJMXFTAGUYOC-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.86
Rot. Bonds5

About 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine

4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine (PubChem CID 126781884) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
PubChem CID126781884
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
SMILESCCc1nc(CN2CCC(CN3CCOCC3)C2)cs1
InChIInChI=1S/C15H25N3OS/c1-2-15-16-14(12-20-15)11-18-4-3-13(10-18)9-17-5-7-19-8-6-17/h12-13H,2-11H2,1H3
InChIKeyHLSJMXFTAGUYOC-UHFFFAOYSA-N
XLogP1.86
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126773878
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462080
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120799077
6-ethyl-N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpyrimidin-4-amine
CID 133460671
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119129389
4-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]morpholine
CID 77091868
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine (CID 126781884) is 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine is CCc1nc(CN2CCC(CN3CCOCC3)C2)cs1.
What is the InChIKey of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
The InChIKey is HLSJMXFTAGUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-15-16-14(12-20-15)11-18-4-3-13(10-18)9-17-5-7-19-8-6-17/h12-13H,2-11H2,1H3.
What are the key properties of 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine?
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine has a molecular weight of 295.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 126781884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).