2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide

C15H11FN2OS — CID 50849830

IUPAC2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-5-6-12-13(8-11)20-15(18-12)10-3-1-9(2-4-10)7-14(17)19/h1-6,8H,7H2,(H2,17,19)
InChIKeyPUJQBJMNUJZTLW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds3

About 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide

2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 50849830) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID50849830
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C15H11FN2OS/c16-11-5-6-12-13(8-11)20-15(18-12)10-3-1-9(2-4-10)7-14(17)19/h1-6,8H,7H2,(H2,17,19)
InChIKeyPUJQBJMNUJZTLW-UHFFFAOYSA-N
XLogP3.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 50850273
2-(4-fluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 25233597
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
5-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodophenol
CID 114103523
6-fluoro-2-(4-nitrophenyl)-1,3-benzothiazole
CID 10588362
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
1,1,1-trifluoro-3-[4-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]propan-2-one
CID 58342169
6-fluoro-2-(1H-indol-5-yl)-1,3-benzothiazole
CID 142734680
1-[2-(4-fluorophenyl)ethyl]-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 108902175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 50849830) is 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide is NC(=O)Cc1ccc(-c2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is PUJQBJMNUJZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-11-5-6-12-13(8-11)20-15(18-12)10-3-1-9(2-4-10)7-14(17)19/h1-6,8H,7H2,(H2,17,19).
What are the key properties of 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide?
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 50849830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).