2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

C16H10F2N2OS — CID 17487764

IUPAC2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H10F2N2OS/c17-11-3-6-14(18)13(9-11)15(21)20-12-4-1-10(2-5-12)16-19-7-8-22-16/h1-9H,(H,20,21)
InChIKeyIHYSKOKHYNQPHQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP4.34
Rot. Bonds3

About 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 17487764) has the molecular formula C16H10F2N2OS and a molecular weight of 316.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID17487764
Molecular FormulaC16H10F2N2OS
Molecular Weight316.33 g/mol
Exact Mass316.05
IUPAC Name2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C16H10F2N2OS/c17-11-3-6-14(18)13(9-11)15(21)20-12-4-1-10(2-5-12)16-19-7-8-22-16/h1-9H,(H,20,21)
InChIKeyIHYSKOKHYNQPHQ-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 17487764) is 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is IHYSKOKHYNQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2OS/c17-11-3-6-14(18)13(9-11)15(21)20-12-4-1-10(2-5-12)16-19-7-8-22-16/h1-9H,(H,20,21).
What are the key properties of 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17487764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).