N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide

C20H14FN3OS — CID 46927510

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C20H14FN3OS/c21-16-5-6-17-18(12-16)26-20(23-17)24-19(25)11-13-1-3-14(4-2-13)15-7-9-22-10-8-15/h1-10,12H,11H2,(H,23,24,25)
InChIKeyBRHKREDEYQRJLR-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.68
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 46927510) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
PubChem CID46927510
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C20H14FN3OS/c21-16-5-6-17-18(12-16)26-20(23-17)24-19(25)11-13-1-3-14(4-2-13)15-7-9-22-10-8-15/h1-10,12H,11H2,(H,23,24,25)
InChIKeyBRHKREDEYQRJLR-UHFFFAOYSA-N
XLogP4.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide (CID 46927510) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide is O=C(Cc1ccc(-c2ccncc2)cc1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is BRHKREDEYQRJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c21-16-5-6-17-18(12-16)26-20(23-17)24-19(25)11-13-1-3-14(4-2-13)15-7-9-22-10-8-15/h1-10,12H,11H2,(H,23,24,25).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 46927510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).