ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride

C12H20ClN3O4S — CID 120586454

IUPACethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)CC(CN)OC)n1.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-3-19-11(17)4-8-7-20-12(14-8)15-10(16)5-9(6-13)18-2;/h7,9H,3-6,13H2,1-2H3,(H,14,15,16);1H
InChIKeyHZTQOOJEIYXUOI-UHFFFAOYSA-N
MW337.83 g/mol
LogP0.97
Rot. Bonds8

About ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride

ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride (PubChem CID 120586454) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
PubChem CID120586454
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC Nameethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)CC(CN)OC)n1.Cl
InChIInChI=1S/C12H19N3O4S.ClH/c1-3-19-11(17)4-8-7-20-12(14-8)15-10(16)5-9(6-13)18-2;/h7,9H,3-6,13H2,1-2H3,(H,14,15,16);1H
InChIKeyHZTQOOJEIYXUOI-UHFFFAOYSA-N
XLogP0.97
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride with MolForge

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Related Compounds

ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-[[2-(4-aminophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110451962
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methoxybutanamide;hydrochloride
CID 120589106
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride (CID 120586454) is ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride is CCOC(=O)Cc1csc(NC(=O)CC(CN)OC)n1.Cl.
What is the InChIKey of ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
The InChIKey is HZTQOOJEIYXUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S.ClH/c1-3-19-11(17)4-8-7-20-12(14-8)15-10(16)5-9(6-13)18-2;/h7,9H,3-6,13H2,1-2H3,(H,14,15,16);1H.
What are the key properties of ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride?
ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-amino-3-methoxybutanoyl)amino]-1,3-thiazol-4-yl]acetate;hydrochloride is sourced from PubChem (CID 120586454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).