methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate

C13H21N3O3S — CID 82547784

IUPACmethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1csc(C(N)C(C)C)n1
InChIInChI=1S/C13H21N3O3S/c1-8(2)12(14)13-15-9(7-20-13)5-10(17)16(3)6-11(18)19-4/h7-8,12H,5-6,14H2,1-4H3
InChIKeyJBOZVXGOOMPBIL-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.97
Rot. Bonds6

About methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate

methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate (PubChem CID 82547784) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
PubChem CID82547784
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1csc(C(N)C(C)C)n1
InChIInChI=1S/C13H21N3O3S/c1-8(2)12(14)13-15-9(7-20-13)5-10(17)16(3)6-11(18)19-4/h7-8,12H,5-6,14H2,1-4H3
InChIKeyJBOZVXGOOMPBIL-UHFFFAOYSA-N
XLogP0.97
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate with MolForge

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Related Compounds

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 82547915
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215
methyl 2-[methyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 119040994
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 110450436
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450658
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate (CID 82547784) is methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cc1csc(C(N)C(C)C)n1.
What is the InChIKey of methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate?
The InChIKey is JBOZVXGOOMPBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8(2)12(14)13-15-9(7-20-13)5-10(17)16(3)6-11(18)19-4/h7-8,12H,5-6,14H2,1-4H3.
What are the key properties of methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate?
methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate has a molecular weight of 299.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate is sourced from PubChem (CID 82547784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).