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

C11H17N3O3S — CID 82547812

IUPACethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1csc(C(C)N)n1
InChIInChI=1S/C11H17N3O3S/c1-3-17-10(16)5-13-9(15)4-8-6-18-11(14-8)7(2)12/h6-7H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyLUXULMPNTADXQP-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.38
Rot. Bonds6

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

ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 82547812) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID82547812
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1csc(C(C)N)n1
InChIInChI=1S/C11H17N3O3S/c1-3-17-10(16)5-13-9(15)4-8-6-18-11(14-8)7(2)12/h6-7H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyLUXULMPNTADXQP-UHFFFAOYSA-N
XLogP0.38
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 82547688
ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 82547658
ethyl 4-[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 110450870
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-cyclopropylacetamide
CID 82548102
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 82547702
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]acetamide
CID 75465076
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 82547812) is ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cc1csc(C(C)N)n1.
What is the InChIKey of ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is LUXULMPNTADXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-17-10(16)5-13-9(15)4-8-6-18-11(14-8)7(2)12/h6-7H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 271.34 g/mol, XLogP of 0.38, 6 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-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 82547812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).