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

C17H11F4N3OS — CID 22049702

IUPAC2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
SMILESCNC(=O)c1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)ccc1F
InChIInChI=1S/C17H11F4N3OS/c1-22-15(25)10-6-9(2-3-13(10)18)14-8-26-16(24-14)11-7-23-5-4-12(11)17(19,20)21/h2-8H,1H3,(H,22,25)
InChIKeyHNDNAIHVGGBJAZ-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.39
Rot. Bonds3

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

2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide (PubChem CID 22049702) has the molecular formula C17H11F4N3OS and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
PubChem CID22049702
Molecular FormulaC17H11F4N3OS
Molecular Weight381.35 g/mol
Exact Mass381.06
IUPAC Name2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide
SMILESCNC(=O)c1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)ccc1F
InChIInChI=1S/C17H11F4N3OS/c1-22-15(25)10-6-9(2-3-13(10)18)14-8-26-16(24-14)11-7-23-5-4-12(11)17(19,20)21/h2-8H,1H3,(H,22,25)
InChIKeyHNDNAIHVGGBJAZ-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide (CID 22049702) is 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide is CNC(=O)c1cc(-c2csc(-c3cnccc3C(F)(F)F)n2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
The InChIKey is HNDNAIHVGGBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3OS/c1-22-15(25)10-6-9(2-3-13(10)18)14-8-26-16(24-14)11-7-23-5-4-12(11)17(19,20)21/h2-8H,1H3,(H,22,25).
What are the key properties of 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide?
2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide has a molecular weight of 381.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-[2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 22049702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).