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

C12H15F3N2O2S — CID 103199695

IUPACmethyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCCC2C(F)(F)F)sc1N
InChIInChI=1S/C12H15F3N2O2S/c1-19-11(18)8-9(16)20-10(17-8)6-4-2-3-5-7(6)12(13,14)15/h6-7H,2-5,16H2,1H3
InChIKeyYNTUMTVRBUTJMQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.35
Rot. Bonds2

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

methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate (PubChem CID 103199695) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
PubChem CID103199695
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Namemethyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CCCCC2C(F)(F)F)sc1N
InChIInChI=1S/C12H15F3N2O2S/c1-19-11(18)8-9(16)20-10(17-8)6-4-2-3-5-7(6)12(13,14)15/h6-7H,2-5,16H2,1H3
InChIKeyYNTUMTVRBUTJMQ-UHFFFAOYSA-N
XLogP3.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate (CID 103199695) is methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2CCCCC2C(F)(F)F)sc1N.
What is the InChIKey of methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate?
The InChIKey is YNTUMTVRBUTJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-19-11(18)8-9(16)20-10(17-8)6-4-2-3-5-7(6)12(13,14)15/h6-7H,2-5,16H2,1H3.
What are the key properties of methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 3.35, 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-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).