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

C6H10N2O2S — CID 69089380

IUPACethyl 5-amino-2H-1,3-thiazole-3-carboxylate
SMILESCCOC(=O)N1C=C(N)SC1
InChIInChI=1S/C6H10N2O2S/c1-2-10-6(9)8-3-5(7)11-4-8/h3H,2,4,7H2,1H3
InChIKeyBTZSWDXVEGCCPV-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.91
Rot. Bonds1

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

ethyl 5-amino-2H-1,3-thiazole-3-carboxylate (PubChem CID 69089380) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is ethyl 5-amino-2H-1,3-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2H-1,3-thiazole-3-carboxylate
PubChem CID69089380
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Nameethyl 5-amino-2H-1,3-thiazole-3-carboxylate
SMILESCCOC(=O)N1C=C(N)SC1
InChIInChI=1S/C6H10N2O2S/c1-2-10-6(9)8-3-5(7)11-4-8/h3H,2,4,7H2,1H3
InChIKeyBTZSWDXVEGCCPV-UHFFFAOYSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2H-1,3-thiazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-2H-1,3-thiazole-3-carboxylate (CID 69089380) is ethyl 5-amino-2H-1,3-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2H-1,3-thiazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2H-1,3-thiazole-3-carboxylate is CCOC(=O)N1C=C(N)SC1.
What is the InChIKey of ethyl 5-amino-2H-1,3-thiazole-3-carboxylate?
The InChIKey is BTZSWDXVEGCCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-2-10-6(9)8-3-5(7)11-4-8/h3H,2,4,7H2,1H3.
What are the key properties of ethyl 5-amino-2H-1,3-thiazole-3-carboxylate?
ethyl 5-amino-2H-1,3-thiazole-3-carboxylate has a molecular weight of 174.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2H-1,3-thiazole-3-carboxylate is sourced from PubChem (CID 69089380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).