methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride

C12H20ClN3O2S — CID 120902091

IUPACmethyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CN(Cc1cnc(N)s1)C1CC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8(11(16)17-2)6-15(9-3-4-9)7-10-5-14-12(13)18-10;/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14);1H
InChIKeyMEBWWZAZPMUMPP-UHFFFAOYSA-N
MW305.83 g/mol
LogP1.92
Rot. Bonds6

About methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride

methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride (PubChem CID 120902091) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
PubChem CID120902091
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Namemethyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CN(Cc1cnc(N)s1)C1CC1.Cl
InChIInChI=1S/C12H19N3O2S.ClH/c1-8(11(16)17-2)6-15(9-3-4-9)7-10-5-14-12(13)18-10;/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14);1H
InChIKeyMEBWWZAZPMUMPP-UHFFFAOYSA-N
XLogP1.92
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride (CID 120902091) is methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride is COC(=O)C(C)CN(Cc1cnc(N)s1)C1CC1.Cl.
What is the InChIKey of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride?
The InChIKey is MEBWWZAZPMUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.ClH/c1-8(11(16)17-2)6-15(9-3-4-9)7-10-5-14-12(13)18-10;/h5,8-9H,3-4,6-7H2,1-2H3,(H2,13,14);1H.
What are the key properties of methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride?
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride has a molecular weight of 305.83 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 120902091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).