methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C17H11F3N2O2S — CID 169088554

IUPACmethyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)ccnc1-c1nccs1
InChIInChI=1S/C17H11F3N2O2S/c1-24-16(23)13-12(6-7-21-14(13)15-22-8-9-25-15)10-2-4-11(5-3-10)17(18,19)20/h2-9H,1H3
InChIKeyILVLNICLDRFPIL-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.68
Rot. Bonds3

About methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate

methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 169088554) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID169088554
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Namemethyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)ccnc1-c1nccs1
InChIInChI=1S/C17H11F3N2O2S/c1-24-16(23)13-12(6-7-21-14(13)15-22-8-9-25-15)10-2-4-11(5-3-10)17(18,19)20/h2-9H,1H3
InChIKeyILVLNICLDRFPIL-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 169088554) is methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate is COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)ccnc1-c1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is ILVLNICLDRFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c1-24-16(23)13-12(6-7-21-14(13)15-22-8-9-25-15)10-2-4-11(5-3-10)17(18,19)20/h2-9H,1H3.
What are the key properties of methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate has a molecular weight of 364.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 169088554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).