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

C6H10N2O2S — CID 54259179

IUPACmethyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)CN1C=CSC1N
InChIInChI=1S/C6H10N2O2S/c1-10-5(9)4-8-2-3-11-6(8)7/h2-3,6H,4,7H2,1H3
InChIKeyRCGKPVHJPLZUPQ-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.08
Rot. Bonds2

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

methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate (PubChem CID 54259179) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate
PubChem CID54259179
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Namemethyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate
SMILESCOC(=O)CN1C=CSC1N
InChIInChI=1S/C6H10N2O2S/c1-10-5(9)4-8-2-3-11-6(8)7/h2-3,6H,4,7H2,1H3
InChIKeyRCGKPVHJPLZUPQ-UHFFFAOYSA-N
XLogP-0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.08
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-2H-1,3-thiazol-3-yl)acetate?
The IUPAC name of methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate (CID 54259179) is methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate?
The canonical SMILES for methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate is COC(=O)CN1C=CSC1N.
What is the InChIKey of methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate?
The InChIKey is RCGKPVHJPLZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-10-5(9)4-8-2-3-11-6(8)7/h2-3,6H,4,7H2,1H3.
What are the key properties of methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate?
methyl 2-(2-amino-2H-1,3-thiazol-3-yl)acetate has a molecular weight of 174.23 g/mol, XLogP of -0.08, 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-2H-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 54259179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).