methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate

C11H9FN2O2S — CID 13073191

IUPACmethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C11H9FN2O2S/c1-16-11(15)10-8(13)9(14-17-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3
InChIKeyUUXZEJCXBIBGMH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.32
Rot. Bonds2

About methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate

methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate (PubChem CID 13073191) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
PubChem CID13073191
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namemethyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ccc(F)cc2)c1N
InChIInChI=1S/C11H9FN2O2S/c1-16-11(15)10-8(13)9(14-17-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3
InChIKeyUUXZEJCXBIBGMH-UHFFFAOYSA-N
XLogP2.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-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 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate (CID 13073191) is methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate is COC(=O)c1snc(-c2ccc(F)cc2)c1N.
What is the InChIKey of methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
The InChIKey is UUXZEJCXBIBGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-16-11(15)10-8(13)9(14-17-10)6-2-4-7(12)5-3-6/h2-5H,13H2,1H3.
What are the key properties of methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate?
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 13073191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).