methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate

C9H8N2O3S — CID 86616435

IUPACmethyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2csc(N)n2)o1
InChIInChI=1S/C9H8N2O3S/c1-13-8(12)7-3-2-6(14-7)5-4-15-9(10)11-5/h2-4H,1H3,(H2,10,11)
InChIKeyAJUXEVOQNSAKRA-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.77
Rot. Bonds2

About methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate

methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate (PubChem CID 86616435) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate
PubChem CID86616435
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namemethyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2csc(N)n2)o1
InChIInChI=1S/C9H8N2O3S/c1-13-8(12)7-3-2-6(14-7)5-4-15-9(10)11-5/h2-4H,1H3,(H2,10,11)
InChIKeyAJUXEVOQNSAKRA-UHFFFAOYSA-N
XLogP1.77
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate (CID 86616435) is methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2csc(N)n2)o1.
What is the InChIKey of methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate?
The InChIKey is AJUXEVOQNSAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-13-8(12)7-3-2-6(14-7)5-4-15-9(10)11-5/h2-4H,1H3,(H2,10,11).
What are the key properties of methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate?
methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-amino-1,3-thiazol-4-yl)furan-2-carboxylate is sourced from PubChem (CID 86616435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).