ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate

C7H9N3O3S — CID 863908

IUPACethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C7H9N3O3S/c1-2-13-7(12)5-3(8)4(6(9)11)10-14-5/h2,8H2,1H3,(H2,9,11)
InChIKeyCFOLRWLXDGELQE-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.00
Rot. Bonds3

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

ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (PubChem CID 863908) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
PubChem CID863908
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Nameethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C7H9N3O3S/c1-2-13-7(12)5-3(8)4(6(9)11)10-14-5/h2,8H2,1H3,(H2,9,11)
InChIKeyCFOLRWLXDGELQE-UHFFFAOYSA-N
XLogP0.00
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate (CID 863908) is ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
The InChIKey is CFOLRWLXDGELQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-2-13-7(12)5-3(8)4(6(9)11)10-14-5/h2,8H2,1H3,(H2,9,11).
What are the key properties of ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate?
ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 863908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).