[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine

C11H19N3OS — CID 167935793

IUPAC[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCOCc1nc(CN2CCC(CN)C2)cs1
InChIInChI=1S/C11H19N3OS/c1-15-7-11-13-10(8-16-11)6-14-3-2-9(4-12)5-14/h8-9H,2-7,12H2,1H3
InChIKeyXBZWVZUSQVWMHJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.07
Rot. Bonds5

About [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine

[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 167935793) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID167935793
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
SMILESCOCc1nc(CN2CCC(CN)C2)cs1
InChIInChI=1S/C11H19N3OS/c1-15-7-11-13-10(8-16-11)6-14-3-2-9(4-12)5-14/h8-9H,2-7,12H2,1H3
InChIKeyXBZWVZUSQVWMHJ-UHFFFAOYSA-N
XLogP1.07
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 64598386
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 106587020
N-[[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106589398
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126773878
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine (CID 167935793) is [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine is COCc1nc(CN2CCC(CN)C2)cs1.
What is the InChIKey of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is XBZWVZUSQVWMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-15-7-11-13-10(8-16-11)6-14-3-2-9(4-12)5-14/h8-9H,2-7,12H2,1H3.
What are the key properties of [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine?
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 167935793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).