methyl 2-(2-amino-1,3-thiazol-5-yl)acetate

C6H8N2O2S — CID 963498

IUPACmethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(N)s1
InChIInChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
InChIKeySAQBFOVDJDGAGT-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.44
Rot. Bonds2

About methyl 2-(2-amino-1,3-thiazol-5-yl)acetate

methyl 2-(2-amino-1,3-thiazol-5-yl)acetate (PubChem CID 963498) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is methyl 2-(2-amino-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
PubChem CID963498
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Namemethyl 2-(2-amino-1,3-thiazol-5-yl)acetate
SMILESCOC(=O)Cc1cnc(N)s1
InChIInChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
InChIKeySAQBFOVDJDGAGT-UHFFFAOYSA-N
XLogP0.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The IUPAC name of methyl 2-(2-amino-1,3-thiazol-5-yl)acetate (CID 963498) is methyl 2-(2-amino-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-1,3-thiazol-5-yl)acetate is COC(=O)Cc1cnc(N)s1.
What is the InChIKey of methyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
The InChIKey is SAQBFOVDJDGAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-10-5(9)2-4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8).
What are the key properties of methyl 2-(2-amino-1,3-thiazol-5-yl)acetate?
methyl 2-(2-amino-1,3-thiazol-5-yl)acetate has a molecular weight of 172.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 963498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).