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

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Related Compounds

methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53335719
methyl 4-amino-3-[(4-fluorophenyl)methylcarbamoyl]-1,2-thiazole-5-carboxylate
CID 50743406
ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
CID 134095187
methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 165123998
methyl 4-amino-3-(3-chloro-2-pyridinyl)-1,2-thiazole-5-carboxylate
CID 171096034
4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 155209194
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate
CID 90686203
4-amino-N-[(1S)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N,3-bis(4-fluorophenyl)-1,2-thiazole-5-carboxamide
CID 98099531
4-amino-N-[(1R)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1,2-thiazole-5-carboxamide
CID 98099610
methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
CID 123997957

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).