N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide

C14H8FIN2OS — CID 7193259

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1ccccc1I
InChIInChI=1S/C14H8FIN2OS/c15-9-5-3-7-11-12(9)17-14(20-11)18-13(19)8-4-1-2-6-10(8)16/h1-7H,(H,17,18,19)
InChIKeyRAOBHQRIDPTKAS-UHFFFAOYSA-N
MW398.20 g/mol
LogP4.29
Rot. Bonds2

About N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide (PubChem CID 7193259) has the molecular formula C14H8FIN2OS and a molecular weight of 398.20 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
PubChem CID7193259
Molecular FormulaC14H8FIN2OS
Molecular Weight398.20 g/mol
Exact Mass397.94
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1ccccc1I
InChIInChI=1S/C14H8FIN2OS/c15-9-5-3-7-11-12(9)17-14(20-11)18-13(19)8-4-1-2-6-10(8)16/h1-7H,(H,17,18,19)
InChIKeyRAOBHQRIDPTKAS-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
1-benzhydryl-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121082406
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 121082993
1-(4-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylurea
CID 121082399

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide (CID 7193259) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide is O=C(Nc1nc2c(F)cccc2s1)c1ccccc1I.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
The InChIKey is RAOBHQRIDPTKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2OS/c15-9-5-3-7-11-12(9)17-14(20-11)18-13(19)8-4-1-2-6-10(8)16/h1-7H,(H,17,18,19).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide has a molecular weight of 398.20 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide is sourced from PubChem (CID 7193259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).