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

C9H13N3O3S — CID 54551034

IUPACethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN)n1
InChIInChI=1S/C9H13N3O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyZJXYOHQXIYUJBW-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.15
Rot. Bonds5

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

ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 54551034) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID54551034
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Nameethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN)n1
InChIInChI=1S/C9H13N3O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyZJXYOHQXIYUJBW-UHFFFAOYSA-N
XLogP0.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 54551034) is ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN)n1.
What is the InChIKey of ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZJXYOHQXIYUJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 243.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 54551034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).