2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride

C11H21Cl2N3O2S — CID 119858712

IUPAC2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC(C)(C)c1nccs1.Cl.Cl
InChIInChI=1S/C11H19N3O2S.2ClH/c1-11(2,10-13-5-7-17-10)14-9(15)8-12-4-6-16-3;;/h5,7,12H,4,6,8H2,1-3H3,(H,14,15);2*1H
InChIKeyOMQXIDHZOXBFNK-UHFFFAOYSA-N
MW330.28 g/mol
LogP1.57
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride (PubChem CID 119858712) has the molecular formula C11H21Cl2N3O2S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
PubChem CID119858712
Molecular FormulaC11H21Cl2N3O2S
Molecular Weight330.28 g/mol
Exact Mass329.07
IUPAC Name2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NC(C)(C)c1nccs1.Cl.Cl
InChIInChI=1S/C11H19N3O2S.2ClH/c1-11(2,10-13-5-7-17-10)14-9(15)8-12-4-6-16-3;;/h5,7,12H,4,6,8H2,1-3H3,(H,14,15);2*1H
InChIKeyOMQXIDHZOXBFNK-UHFFFAOYSA-N
XLogP1.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103738822
3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
CID 86796428
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
CID 62542781
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819687
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride (CID 119858712) is 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride is COCCNCC(=O)NC(C)(C)c1nccs1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?
The InChIKey is OMQXIDHZOXBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.2ClH/c1-11(2,10-13-5-7-17-10)14-9(15)8-12-4-6-16-3;;/h5,7,12H,4,6,8H2,1-3H3,(H,14,15);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride has a molecular weight of 330.28 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119858712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).