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

C12H23Cl2N3O2S — CID 119895740

IUPAC(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
SMILESCCOC(C)c1nc(CN(C)C(=O)[C@@H](C)N)cs1.Cl.Cl
InChIInChI=1S/C12H21N3O2S.2ClH/c1-5-17-9(3)11-14-10(7-18-11)6-15(4)12(16)8(2)13;;/h7-9H,5-6,13H2,1-4H3;2*1H/t8-,9?;;/m1../s1
InChIKeyYVPHIAWBQRHRIT-QMKDJUJBSA-N
MW344.31 g/mol
LogP2.39
Rot. Bonds6

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

(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride (PubChem CID 119895740) has the molecular formula C12H23Cl2N3O2S and a molecular weight of 344.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
PubChem CID119895740
Molecular FormulaC12H23Cl2N3O2S
Molecular Weight344.31 g/mol
Exact Mass343.09
IUPAC Name(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride
SMILESCCOC(C)c1nc(CN(C)C(=O)[C@@H](C)N)cs1.Cl.Cl
InChIInChI=1S/C12H21N3O2S.2ClH/c1-5-17-9(3)11-14-10(7-18-11)6-15(4)12(16)8(2)13;;/h7-9H,5-6,13H2,1-4H3;2*1H/t8-,9?;;/m1../s1
InChIKeyYVPHIAWBQRHRIT-QMKDJUJBSA-N
XLogP2.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597304
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-6-fluoro-N-methylpyridine-3-carboxamide
CID 71987205
2-chloro-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpyridine-4-carboxamide
CID 71994258
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119895738
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylindolizine-2-carboxamide
CID 71987204
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
5-[[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154763098
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
1-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 96512780
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride (CID 119895740) is (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride is CCOC(C)c1nc(CN(C)C(=O)[C@@H](C)N)cs1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride?
The InChIKey is YVPHIAWBQRHRIT-QMKDJUJBSA-N. The full InChI is InChI=1S/C12H21N3O2S.2ClH/c1-5-17-9(3)11-14-10(7-18-11)6-15(4)12(16)8(2)13;;/h7-9H,5-6,13H2,1-4H3;2*1H/t8-,9?;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride?
(2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride has a molecular weight of 344.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119895740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).