N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine

C12H21N3O2S — CID 82441943

IUPACN-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCOCC2)nc1COC
InChIInChI=1S/C12H21N3O2S/c1-3-13-8-11-10(9-16-2)14-12(18-11)15-4-6-17-7-5-15/h13H,3-9H2,1-2H3
InChIKeyDYLIYLHBVYUUOD-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.24
Rot. Bonds6

About N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82441943) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82441943
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCOCC2)nc1COC
InChIInChI=1S/C12H21N3O2S/c1-3-13-8-11-10(9-16-2)14-12(18-11)15-4-6-17-7-5-15/h13H,3-9H2,1-2H3
InChIKeyDYLIYLHBVYUUOD-UHFFFAOYSA-N
XLogP1.24
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510218
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510553
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509522
N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510481
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107510353
N-[[2-(2,2-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510775
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510370

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82441943) is N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCOCC2)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is DYLIYLHBVYUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-13-8-11-10(9-16-2)14-12(18-11)15-4-6-17-7-5-15/h13H,3-9H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82441943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).