2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide

C17H12F3N3O3S — CID 110382882

IUPAC2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cccn(OCc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)12-5-3-11(4-6-12)10-26-23-8-1-2-13(15(23)25)14(24)22-16-21-7-9-27-16/h1-9H,10H2,(H,21,22,24)
InChIKeyCQKQRWLWSMKEKF-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.20
Rot. Bonds5

About 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide

2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide (PubChem CID 110382882) has the molecular formula C17H12F3N3O3S and a molecular weight of 395.36 g/mol. Its IUPAC name is 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide
PubChem CID110382882
Molecular FormulaC17H12F3N3O3S
Molecular Weight395.36 g/mol
Exact Mass395.06
IUPAC Name2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1cccn(OCc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C17H12F3N3O3S/c18-17(19,20)12-5-3-11(4-6-12)10-26-23-8-1-2-13(15(23)25)14(24)22-16-21-7-9-27-16/h1-9H,10H2,(H,21,22,24)
InChIKeyCQKQRWLWSMKEKF-UHFFFAOYSA-N
XLogP3.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide (CID 110382882) is 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide is O=C(Nc1nccs1)c1cccn(OCc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide?
The InChIKey is CQKQRWLWSMKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-5-3-11(4-6-12)10-26-23-8-1-2-13(15(23)25)14(24)22-16-21-7-9-27-16/h1-9H,10H2,(H,21,22,24).
What are the key properties of 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide?
2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide has a molecular weight of 395.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 110382882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).