ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate

C7H12N2O2S — CID 15038778

IUPACethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)CC1CSC(N)=N1
InChIInChI=1S/C7H12N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyGXIXGAOSQQIHDW-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.37
Rot. Bonds3

About ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate

ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate (PubChem CID 15038778) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
PubChem CID15038778
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Nameethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)CC1CSC(N)=N1
InChIInChI=1S/C7H12N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyGXIXGAOSQQIHDW-UHFFFAOYSA-N
XLogP0.37
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate (CID 15038778) is ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate is CCOC(=O)CC1CSC(N)=N1.
What is the InChIKey of ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
The InChIKey is GXIXGAOSQQIHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate has a molecular weight of 188.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 15038778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).