methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate

C11H7F3N2O2S — CID 172705732

IUPACmethyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2nccs2)cnc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2S/c1-18-10(17)7-4-6(9-15-2-3-19-9)5-16-8(7)11(12,13)14/h2-5H,1H3
InChIKeyDOFJJWHLVULYNC-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.01
Rot. Bonds2

About methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate

methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 172705732) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID172705732
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Namemethyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2nccs2)cnc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2S/c1-18-10(17)7-4-6(9-15-2-3-19-9)5-16-8(7)11(12,13)14/h2-5H,1H3
InChIKeyDOFJJWHLVULYNC-UHFFFAOYSA-N
XLogP3.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 172705732) is methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1cc(-c2nccs2)cnc1C(F)(F)F.
What is the InChIKey of methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is DOFJJWHLVULYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c1-18-10(17)7-4-6(9-15-2-3-19-9)5-16-8(7)11(12,13)14/h2-5H,1H3.
What are the key properties of methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate?
methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 288.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 172705732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).