(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine

C17H24N2O2S — CID 95787187

IUPAC(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccccc1[C@H](C)N(C)Cc1csc([C@@H](C)OC)n1
InChIInChI=1S/C17H24N2O2S/c1-12(15-8-6-7-9-16(15)21-5)19(3)10-14-11-22-17(18-14)13(2)20-4/h6-9,11-13H,10H2,1-5H3/t12-,13+/m0/s1
InChIKeyVQUWMANJTMOBDI-QWHCGFSZSA-N
MW320.46 g/mol
LogP4.05
Rot. Bonds7

About (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine

(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 95787187) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
PubChem CID95787187
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccccc1[C@H](C)N(C)Cc1csc([C@@H](C)OC)n1
InChIInChI=1S/C17H24N2O2S/c1-12(15-8-6-7-9-16(15)21-5)19(3)10-14-11-22-17(18-14)13(2)20-4/h6-9,11-13H,10H2,1-5H3/t12-,13+/m0/s1
InChIKeyVQUWMANJTMOBDI-QWHCGFSZSA-N
XLogP4.05
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine with MolForge

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Related Compounds

(1S)-N-[(2-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51952845
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 109455401
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methylethanamine
CID 97254290
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026658
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1H-benzimidazol-2-amine
CID 133410822
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133337753
3-[(2-ethoxyphenyl)methyl]-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethylguanidine
CID 109454938
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1,2-dimethylguanidine
CID 109454618
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropane-1-sulfonamide
CID 71981126

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine (CID 95787187) is (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine is COc1ccccc1[C@H](C)N(C)Cc1csc([C@@H](C)OC)n1.
What is the InChIKey of (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is VQUWMANJTMOBDI-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12(15-8-6-7-9-16(15)21-5)19(3)10-14-11-22-17(18-14)13(2)20-4/h6-9,11-13H,10H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine?
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 320.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 95787187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).