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

C13H21N3O3S — CID 82547809

IUPACethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1csc(C(N)C(C)C)n1
InChIInChI=1S/C13H21N3O3S/c1-4-19-11(18)6-15-10(17)5-9-7-20-13(16-9)12(14)8(2)3/h7-8,12H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyFOTLLGMSWTVBPM-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.02
Rot. Bonds7

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

ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 82547809) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID82547809
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1csc(C(N)C(C)C)n1
InChIInChI=1S/C13H21N3O3S/c1-4-19-11(18)6-15-10(17)5-9-7-20-13(16-9)12(14)8(2)3/h7-8,12H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyFOTLLGMSWTVBPM-UHFFFAOYSA-N
XLogP1.02
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
CID 82547784
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 110450436
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-(2-ethyl-2-hydroxybutyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111463295
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450658
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110450729
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 82547809) is ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cc1csc(C(N)C(C)C)n1.
What is the InChIKey of ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is FOTLLGMSWTVBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-19-11(18)6-15-10(17)5-9-7-20-13(16-9)12(14)8(2)3/h7-8,12H,4-6,14H2,1-3H3,(H,15,17).
What are the key properties of ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 299.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 82547809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).