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

C15H21Cl2N3O2S — CID 119900104

IUPAC2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)C(N)c2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-10(20-2)15-18-12(9-21-15)8-17-14(19)13(16)11-6-4-3-5-7-11;;/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyGQXNKKXADRDOTJ-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.01
Rot. Bonds6

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

2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride (PubChem CID 119900104) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
PubChem CID119900104
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)C(N)c2ccccc2)cs1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-10(20-2)15-18-12(9-21-15)8-17-14(19)13(16)11-6-4-3-5-7-11;;/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19);2*1H
InChIKeyGQXNKKXADRDOTJ-UHFFFAOYSA-N
XLogP3.01
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride (CID 119900104) is 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride is COC(C)c1nc(CNC(=O)C(N)c2ccccc2)cs1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride?
The InChIKey is GQXNKKXADRDOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.2ClH/c1-10(20-2)15-18-12(9-21-15)8-17-14(19)13(16)11-6-4-3-5-7-11;;/h3-7,9-10,13H,8,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride?
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 119900104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).