2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride

C18H27Cl2N3O2S — CID 120597304

IUPAC2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
SMILESCCOC(C)c1nc(CN(C)C(=O)C(C)(N)c2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C18H25N3O2S.2ClH/c1-5-23-13(2)16-20-15(12-24-16)11-21(4)17(22)18(3,19)14-9-7-6-8-10-14;;/h6-10,12-13H,5,11,19H2,1-4H3;2*1H
InChIKeyGOQSRNKDTOTYDD-UHFFFAOYSA-N
MW420.41 g/mol
LogP3.92
Rot. Bonds7

About 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride

2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride (PubChem CID 120597304) has the molecular formula C18H27Cl2N3O2S and a molecular weight of 420.41 g/mol. Its IUPAC name is 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
PubChem CID120597304
Molecular FormulaC18H27Cl2N3O2S
Molecular Weight420.41 g/mol
Exact Mass419.12
IUPAC Name2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
SMILESCCOC(C)c1nc(CN(C)C(=O)C(C)(N)c2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C18H25N3O2S.2ClH/c1-5-23-13(2)16-20-15(12-24-16)11-21(4)17(22)18(3,19)14-9-7-6-8-10-14;;/h6-10,12-13H,5,11,19H2,1-4H3;2*1H
InChIKeyGOQSRNKDTOTYDD-UHFFFAOYSA-N
XLogP3.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride with MolForge

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Related Compounds

(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
CID 119895740
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 71987205
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
CID 71987204
2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
CID 71994258
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597348
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 86964837
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119895738
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride (CID 120597304) is 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride is CCOC(C)c1nc(CN(C)C(=O)C(C)(N)c2ccccc2)cs1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
The InChIKey is GOQSRNKDTOTYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.2ClH/c1-5-23-13(2)16-20-15(12-24-16)11-21(4)17(22)18(3,19)14-9-7-6-8-10-14;;/h6-10,12-13H,5,11,19H2,1-4H3;2*1H.
What are the key properties of 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride has a molecular weight of 420.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).