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

C16H14FN3OS — CID 7152616

IUPAC4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C16H14FN3OS/c1-20(2)11-8-6-10(7-9-11)15(21)19-16-18-14-12(17)4-3-5-13(14)22-16/h3-9H,1-2H3,(H,18,19,21)
InChIKeyHGKACNAGXRNBTQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.75
Rot. Bonds3

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

4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7152616) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID7152616
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C16H14FN3OS/c1-20(2)11-8-6-10(7-9-11)15(21)19-16-18-14-12(17)4-3-5-13(14)22-16/h3-9H,1-2H3,(H,18,19,21)
InChIKeyHGKACNAGXRNBTQ-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 121082993
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
4-[butyl(ethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4172039
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
CID 53269035
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2159214
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 7152616) is 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is CN(C)c1ccc(C(=O)Nc2nc3c(F)cccc3s2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HGKACNAGXRNBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-20(2)11-8-6-10(7-9-11)15(21)19-16-18-14-12(17)4-3-5-13(14)22-16/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7152616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).