ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate

C7H12N2O2S — CID 89272039

IUPACethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1N=C(N)SC1C
InChIInChI=1S/C7H12N2O2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h4-5H,3H2,1-2H3,(H2,8,9)
InChIKeyQWNUYVBQZPRTJI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.37
Rot. Bonds2

About ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate

ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 89272039) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID89272039
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Nameethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)C1N=C(N)SC1C
InChIInChI=1S/C7H12N2O2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h4-5H,3H2,1-2H3,(H2,8,9)
InChIKeyQWNUYVBQZPRTJI-UHFFFAOYSA-N
XLogP0.37
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 89272039) is ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate is CCOC(=O)C1N=C(N)SC1C.
What is the InChIKey of ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is QWNUYVBQZPRTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-3-11-6(10)5-4(2)12-7(8)9-5/h4-5H,3H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 188.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methyl-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 89272039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).