methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate

C5H5FN2O2S — CID 169110255

IUPACmethyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(F)sc1N
InChIInChI=1S/C5H5FN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3
InChIKeyRJDMGAFYDYQWLX-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.65
Rot. Bonds1

About methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate

methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate (PubChem CID 169110255) has the molecular formula C5H5FN2O2S and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate
PubChem CID169110255
Molecular FormulaC5H5FN2O2S
Molecular Weight176.17 g/mol
Exact Mass176.01
IUPAC Namemethyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(F)sc1N
InChIInChI=1S/C5H5FN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3
InChIKeyRJDMGAFYDYQWLX-UHFFFAOYSA-N
XLogP0.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-1,3-thiazole-4-carboxylate
CID 12620181
Ethyl 5-amino-2-methylthiazole-4-carboxylate
CID 13329095
Methyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 12792584
Ethyl 5-amino-2-(methylsulfanyl)-1,3-thiazole-4-carboxylate
CID 339350
5-Amino-2-chloro-thiazole-4-carboxylic acid ethyl ester
CID 53408088
Methyl 5-amino-1,3-thiazole-4-carboxylate
CID 53408092
4-Thiazolecarboxylic acid, 5-amino-2-bromo-, methyl ester
CID 74890602
Methyl 2-bromo-5-(methylamino)-1,3-thiazole-4-carboxylate
CID 121393589
5-Amino-2-(2-methoxy-ethyl)-thiazole-4-carboxylic acid ethyl ester
CID 68407298
Ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 135372537
Ethyl 5-(methylamino)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 155721808
Methyl 5-amino-2-chlorothiazole-4-carboxylate
CID 15708025

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate (CID 169110255) is methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate is COC(=O)c1nc(F)sc1N.
What is the InChIKey of methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate?
The InChIKey is RJDMGAFYDYQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3.
What are the key properties of methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate has a molecular weight of 176.17 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-fluoro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 169110255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).