ethyl 5-amino-1,2-thiazole-3-carboxylate

C6H8N2O2S — CID 117215197

IUPACethyl 5-amino-1,2-thiazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)sn1
InChIInChI=1S/C6H8N2O2S/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2,7H2,1H3
InChIKeyALKLRHOXASEPIQ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.90
Rot. Bonds2

About ethyl 5-amino-1,2-thiazole-3-carboxylate

ethyl 5-amino-1,2-thiazole-3-carboxylate (PubChem CID 117215197) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is ethyl 5-amino-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1,2-thiazole-3-carboxylate
PubChem CID117215197
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Nameethyl 5-amino-1,2-thiazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)sn1
InChIInChI=1S/C6H8N2O2S/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2,7H2,1H3
InChIKeyALKLRHOXASEPIQ-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1,2-thiazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1,2-thiazole-3-carboxylate (CID 117215197) is ethyl 5-amino-1,2-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1,2-thiazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1,2-thiazole-3-carboxylate is CCOC(=O)c1cc(N)sn1.
What is the InChIKey of ethyl 5-amino-1,2-thiazole-3-carboxylate?
The InChIKey is ALKLRHOXASEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2,7H2,1H3.
What are the key properties of ethyl 5-amino-1,2-thiazole-3-carboxylate?
ethyl 5-amino-1,2-thiazole-3-carboxylate has a molecular weight of 172.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 117215197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).