methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate

C11H9FN2O2S — CID 130298554

IUPACmethyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1ccc(F)cn1
InChIInChI=1S/C11H9FN2O2S/c1-6-14-9(11(15)16-2)10(17-6)8-4-3-7(12)5-13-8/h3-5H,1-2H3
InChIKeyXZZMOXXHQLPIAV-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.44
Rot. Bonds2

About methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 130298554) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID130298554
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namemethyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1-c1ccc(F)cn1
InChIInChI=1S/C11H9FN2O2S/c1-6-14-9(11(15)16-2)10(17-6)8-4-3-7(12)5-13-8/h3-5H,1-2H3
InChIKeyXZZMOXXHQLPIAV-UHFFFAOYSA-N
XLogP2.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-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-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 130298554) is methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1-c1ccc(F)cn1.
What is the InChIKey of methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is XZZMOXXHQLPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-6-14-9(11(15)16-2)10(17-6)8-4-3-7(12)5-13-8/h3-5H,1-2H3.
What are the key properties of methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 130298554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).