methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate

C11H9NO4S — CID 106946619

IUPACmethyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2csc(C)n2)o1
InChIInChI=1S/C11H9NO4S/c1-6-12-7(5-17-6)10(13)8-3-4-9(16-8)11(14)15-2/h3-5H,1-2H3
InChIKeyLBOFOUMQQSQCFI-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.06
Rot. Bonds3

About methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate

methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate (PubChem CID 106946619) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
PubChem CID106946619
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Namemethyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2csc(C)n2)o1
InChIInChI=1S/C11H9NO4S/c1-6-12-7(5-17-6)10(13)8-3-4-9(16-8)11(14)15-2/h3-5H,1-2H3
InChIKeyLBOFOUMQQSQCFI-UHFFFAOYSA-N
XLogP2.06
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate (CID 106946619) is methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate is COC(=O)c1ccc(C(=O)c2csc(C)n2)o1.
What is the InChIKey of methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate?
The InChIKey is LBOFOUMQQSQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c1-6-12-7(5-17-6)10(13)8-3-4-9(16-8)11(14)15-2/h3-5H,1-2H3.
What are the key properties of methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate?
methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methyl-1,3-thiazole-4-carbonyl)furan-2-carboxylate is sourced from PubChem (CID 106946619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).