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

C16H14FN3OS — CID 121082993

IUPAC3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2nc3c(F)cccc3s2)c1
InChIInChI=1S/C16H14FN3OS/c1-20(2)11-6-3-5-10(9-11)15(21)19-16-18-14-12(17)7-4-8-13(14)22-16/h3-9H,1-2H3,(H,18,19,21)
InChIKeyHYHLANAEVNXTRF-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.75
Rot. Bonds3

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

3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 121082993) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID121082993
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2nc3c(F)cccc3s2)c1
InChIInChI=1S/C16H14FN3OS/c1-20(2)11-6-3-5-10(9-11)15(21)19-16-18-14-12(17)7-4-8-13(14)22-16/h3-9H,1-2H3,(H,18,19,21)
InChIKeyHYHLANAEVNXTRF-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 3-(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

4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 121082978
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
CID 53269035
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
1-(3,5-dimethylphenyl)-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121080751
N-(4-fluoro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43989277
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 121082993) is 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is CN(C)c1cccc(C(=O)Nc2nc3c(F)cccc3s2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HYHLANAEVNXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-20(2)11-6-3-5-10(9-11)15(21)19-16-18-14-12(17)7-4-8-13(14)22-16/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide?
3-(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 3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 121082993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).