(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate

C17H11F3N2O2S — CID 3821185

IUPAC(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate
SMILESCc1sc(-c2ccncc2)nc1OC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O2S/c1-10-14(22-15(25-10)11-6-8-21-9-7-11)24-16(23)12-2-4-13(5-3-12)17(18,19)20/h2-9H,1H3
InChIKeyQTJOEQPXRAJNRX-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.75
Rot. Bonds3

About (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate

(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate (PubChem CID 3821185) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate
PubChem CID3821185
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate
SMILESCc1sc(-c2ccncc2)nc1OC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O2S/c1-10-14(22-15(25-10)11-6-8-21-9-7-11)24-16(23)12-2-4-13(5-3-12)17(18,19)20/h2-9H,1H3
InChIKeyQTJOEQPXRAJNRX-UHFFFAOYSA-N
XLogP4.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate?
The IUPAC name of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate (CID 3821185) is (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate.
What is the SMILES notation for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate?
The canonical SMILES for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate is Cc1sc(-c2ccncc2)nc1OC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate?
The InChIKey is QTJOEQPXRAJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c1-10-14(22-15(25-10)11-6-8-21-9-7-11)24-16(23)12-2-4-13(5-3-12)17(18,19)20/h2-9H,1H3.
What are the key properties of (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate?
(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate has a molecular weight of 364.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl) 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 3821185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).