ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C12H9F3N2O3S2 — CID 84559085

IUPACethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O3S2/c1-2-20-10(19)7-8(12(13,14)15)16-11(22-7)17-9(18)6-4-3-5-21-6/h3-5H,2H2,1H3,(H,16,17,18)
InChIKeyUBCLYXCUJFCWFA-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.65
Rot. Bonds4

About ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 84559085) has the molecular formula C12H9F3N2O3S2 and a molecular weight of 350.34 g/mol. Its IUPAC name is ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID84559085
Molecular FormulaC12H9F3N2O3S2
Molecular Weight350.34 g/mol
Exact Mass350.00
IUPAC Nameethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O3S2/c1-2-20-10(19)7-8(12(13,14)15)16-11(22-7)17-9(18)6-4-3-5-21-6/h3-5H,2H2,1H3,(H,16,17,18)
InChIKeyUBCLYXCUJFCWFA-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 84559085) is ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cccs2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is UBCLYXCUJFCWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S2/c1-2-20-10(19)7-8(12(13,14)15)16-11(22-7)17-9(18)6-4-3-5-21-6/h3-5H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 350.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophene-2-carbonylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 84559085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).