2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C14H14F3N3O2S — CID 18130060

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C14H14F3N3O2S/c1-8(2)10-7-23-13(18-10)19-11(21)6-20-5-9(14(15,16)17)3-4-12(20)22/h3-5,7-8H,6H2,1-2H3,(H,18,19,21)
InChIKeyGVCIUBUWFURJEK-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18130060) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID18130060
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1
InChIInChI=1S/C14H14F3N3O2S/c1-8(2)10-7-23-13(18-10)19-11(21)6-20-5-9(14(15,16)17)3-4-12(20)22/h3-5,7-8H,6H2,1-2H3,(H,18,19,21)
InChIKeyGVCIUBUWFURJEK-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 18130060) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GVCIUBUWFURJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c1-8(2)10-7-23-13(18-10)19-11(21)6-20-5-9(14(15,16)17)3-4-12(20)22/h3-5,7-8H,6H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18130060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).