methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate

C11H14F3N3O2S — CID 103382171

IUPACmethyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O2S/c1-19-10(18)7-8(15)16-20-9(7)17-4-2-3-6(5-17)11(12,13)14/h6H,2-5H2,1H3,(H2,15,16)
InChIKeyAXNMCVWGLSHZSN-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.29
Rot. Bonds2

About methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate (PubChem CID 103382171) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
PubChem CID103382171
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Namemethyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3O2S/c1-19-10(18)7-8(15)16-20-9(7)17-4-2-3-6(5-17)11(12,13)14/h6H,2-5H2,1H3,(H2,15,16)
InChIKeyAXNMCVWGLSHZSN-UHFFFAOYSA-N
XLogP2.29
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103382179
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
1-[3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103422876
methyl 5-amino-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406868
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422881
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380843

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate (CID 103382171) is methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
The InChIKey is AXNMCVWGLSHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-19-10(18)7-8(15)16-20-9(7)17-4-2-3-6(5-17)11(12,13)14/h6H,2-5H2,1H3,(H2,15,16).
What are the key properties of methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate has a molecular weight of 309.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103382171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).