2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide

C16H9F4N3OS — CID 22049686

IUPAC2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)ccc1F
InChIInChI=1S/C16H9F4N3OS/c17-12-2-1-8(5-9(12)14(21)24)13-7-25-15(23-13)10-6-22-4-3-11(10)16(18,19)20/h1-7H,(H2,21,24)
InChIKeyLQIGDRSXHXULND-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.13
Rot. Bonds3

About 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide

2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 22049686) has the molecular formula C16H9F4N3OS and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
PubChem CID22049686
Molecular FormulaC16H9F4N3OS
Molecular Weight367.33 g/mol
Exact Mass367.04
IUPAC Name2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)ccc1F
InChIInChI=1S/C16H9F4N3OS/c17-12-2-1-8(5-9(12)14(21)24)13-7-25-15(23-13)10-6-22-4-3-11(10)16(18,19)20/h1-7H,(H2,21,24)
InChIKeyLQIGDRSXHXULND-UHFFFAOYSA-N
XLogP4.13
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide (CID 22049686) is 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide is NC(=O)c1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is LQIGDRSXHXULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3OS/c17-12-2-1-8(5-9(12)14(21)24)13-7-25-15(23-13)10-6-22-4-3-11(10)16(18,19)20/h1-7H,(H2,21,24).
What are the key properties of 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 367.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 22049686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).