(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine

C14H22N4O2S — CID 129378203

IUPAC(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCO[C@@H](C)c1nc(CN(C)[C@H](C)c2nnc(C)o2)cs1
InChIInChI=1S/C14H22N4O2S/c1-6-19-10(3)14-15-12(8-21-14)7-18(5)9(2)13-17-16-11(4)20-13/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyKLWVMAGYZYWLLU-ZJUUUORDSA-N
MW310.42 g/mol
LogP3.13
Rot. Bonds7

About (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine

(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 129378203) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID129378203
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCO[C@@H](C)c1nc(CN(C)[C@H](C)c2nnc(C)o2)cs1
InChIInChI=1S/C14H22N4O2S/c1-6-19-10(3)14-15-12(8-21-14)7-18(5)9(2)13-17-16-11(4)20-13/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeyKLWVMAGYZYWLLU-ZJUUUORDSA-N
XLogP3.13
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine with MolForge

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Related Compounds

5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154763098
(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 119895740
(1S)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95288572
2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
CID 71994258
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597304
1-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 96512780
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 71987205
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanol
CID 64544933
N-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-2,3-dihydro-1,4-benzodioxin-5-amine
CID 96536735
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
CID 71987204

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 129378203) is (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine is CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2nnc(C)o2)cs1.
What is the InChIKey of (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is KLWVMAGYZYWLLU-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-6-19-10(3)14-15-12(8-21-14)7-18(5)9(2)13-17-16-11(4)20-13/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine?
(1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 310.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 129378203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).