[2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate

C18H15F3N2O3S — CID 102258895

IUPAC[2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC2(C(F)(F)F)CSC(c3cccnc3)=N2)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-2-25-14-7-5-12(6-8-14)16(24)26-17(18(19,20)21)11-27-15(23-17)13-4-3-9-22-10-13/h3-10H,2,11H2,1H3
InChIKeyZWGBSVQUCXEKFO-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.09
Rot. Bonds5

About [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate

[2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate (PubChem CID 102258895) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate
PubChem CID102258895
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name[2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC2(C(F)(F)F)CSC(c3cccnc3)=N2)cc1
InChIInChI=1S/C18H15F3N2O3S/c1-2-25-14-7-5-12(6-8-14)16(24)26-17(18(19,20)21)11-27-15(23-17)13-4-3-9-22-10-13/h3-10H,2,11H2,1H3
InChIKeyZWGBSVQUCXEKFO-UHFFFAOYSA-N
XLogP4.09
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate?
The IUPAC name of [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate (CID 102258895) is [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate.
What is the SMILES notation for [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate?
The canonical SMILES for [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OC2(C(F)(F)F)CSC(c3cccnc3)=N2)cc1.
What is the InChIKey of [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate?
The InChIKey is ZWGBSVQUCXEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c1-2-25-14-7-5-12(6-8-14)16(24)26-17(18(19,20)21)11-27-15(23-17)13-4-3-9-22-10-13/h3-10H,2,11H2,1H3.
What are the key properties of [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate?
[2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate has a molecular weight of 396.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-3-yl-4-(trifluoromethyl)-5H-1,3-thiazol-4-yl] 4-ethoxybenzoate is sourced from PubChem (CID 102258895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).