ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate

C15H13F6N3O2S — CID 175716643

IUPACethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)(F)F)s1
InChIInChI=1S/C15H13F6N3O2S/c1-3-26-13(25)12-23-6-10(27-12)8-5-22-11(4-9(8)15(19,20)21)24-7(2)14(16,17)18/h4-7H,3H2,1-2H3,(H,22,24)/t7-/m0/s1
InChIKeyVUMUTBAGGPZESO-ZETCQYMHSA-N
MW413.34 g/mol
LogP4.76
Rot. Bonds5

About ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate

ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate (PubChem CID 175716643) has the molecular formula C15H13F6N3O2S and a molecular weight of 413.34 g/mol. Its IUPAC name is ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate
PubChem CID175716643
Molecular FormulaC15H13F6N3O2S
Molecular Weight413.34 g/mol
Exact Mass413.06
IUPAC Nameethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)(F)F)s1
InChIInChI=1S/C15H13F6N3O2S/c1-3-26-13(25)12-23-6-10(27-12)8-5-22-11(4-9(8)15(19,20)21)24-7(2)14(16,17)18/h4-7H,3H2,1-2H3,(H,22,24)/t7-/m0/s1
InChIKeyVUMUTBAGGPZESO-ZETCQYMHSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 156672924
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
ethyl 6-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxylate
CID 60505506
ethyl 5-[6-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxylate
CID 166919986
ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
CID 61064211
ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 114267531
ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 114267554
ethyl 6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 2809345
(2,2,2-trifluoroacetyl) 5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxylate
CID 118468556

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate (CID 175716643) is ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1ncc(-c2cnc(N[C@@H](C)C(F)(F)F)cc2C(F)(F)F)s1.
What is the InChIKey of ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate?
The InChIKey is VUMUTBAGGPZESO-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H13F6N3O2S/c1-3-26-13(25)12-23-6-10(27-12)8-5-22-11(4-9(8)15(19,20)21)24-7(2)14(16,17)18/h4-7H,3H2,1-2H3,(H,22,24)/t7-/m0/s1.
What are the key properties of ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate?
ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate has a molecular weight of 413.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 175716643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).