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

C9H11FN2O2S — CID 130987614

IUPACmethyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2(C)CC2F)sc1N
InChIInChI=1S/C9H11FN2O2S/c1-9(3-4(9)10)8-12-5(6(11)15-8)7(13)14-2/h4H,3,11H2,1-2H3
InChIKeyNFGYQGRVOGCIHN-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.51
Rot. Bonds2

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

methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 130987614) has the molecular formula C9H11FN2O2S and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID130987614
Molecular FormulaC9H11FN2O2S
Molecular Weight230.26 g/mol
Exact Mass230.05
IUPAC Namemethyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2(C)CC2F)sc1N
InChIInChI=1S/C9H11FN2O2S/c1-9(3-4(9)10)8-12-5(6(11)15-8)7(13)14-2/h4H,3,11H2,1-2H3
InChIKeyNFGYQGRVOGCIHN-UHFFFAOYSA-N
XLogP1.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-amino-2-methylthiazole-4-carboxylate
CID 13329095
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-fluoro-1,3-thiazole-4-carboxylate
CID 169110255
Methyl 5-amino-2-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
CID 103199614
Methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
CID 103199695
Methyl 5-amino-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
CID 103199779
Methyl 5-amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylate
CID 113787139
Ethyl 5-amino-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 132391099
Ethyl 5-amino-2-(2,2-difluoropropyl)-1,3-thiazole-4-carboxylate
CID 132398499
Tert-butyl 5-amino-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 137937712

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 130987614) is methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2(C)CC2F)sc1N.
What is the InChIKey of methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is NFGYQGRVOGCIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2S/c1-9(3-4(9)10)8-12-5(6(11)15-8)7(13)14-2/h4H,3,11H2,1-2H3.
What are the key properties of methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-fluoro-1-methylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 130987614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).