N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine

C12H21N3OS — CID 64581416

IUPACN-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(COC)C2)s1
InChIInChI=1S/C12H21N3OS/c1-3-13-6-11-7-14-12(17-11)15-5-4-10(8-15)9-16-2/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyINBLXCOINYYFPI-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.73
Rot. Bonds6

About N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 64581416) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID64581416
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(COC)C2)s1
InChIInChI=1S/C12H21N3OS/c1-3-13-6-11-7-14-12(17-11)15-5-4-10(8-15)9-16-2/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyINBLXCOINYYFPI-UHFFFAOYSA-N
XLogP1.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 64581617
N,N-diethyl-1-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 55160506
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392674
1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 55160312
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79170468
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277
N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62754485

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 64581416) is N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(N2CCC(COC)C2)s1.
What is the InChIKey of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is INBLXCOINYYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-13-6-11-7-14-12(17-11)15-5-4-10(8-15)9-16-2/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 64581416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).