N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide

C15H11FN2OS2 — CID 7565106

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H11FN2OS2/c1-20-11-4-2-3-9(7-11)14(19)18-15-17-12-6-5-10(16)8-13(12)21-15/h2-8H,1H3,(H,17,18,19)
InChIKeyNDZJSTUQIFKLFN-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.41
Rot. Bonds3

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide (PubChem CID 7565106) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
PubChem CID7565106
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C15H11FN2OS2/c1-20-11-4-2-3-9(7-11)14(19)18-15-17-12-6-5-10(16)8-13(12)21-15/h2-8H,1H3,(H,17,18,19)
InChIKeyNDZJSTUQIFKLFN-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide 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

N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
3-butoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 8670645
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 53269170
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 2483488
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615080
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide (CID 7565106) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nc3ccc(F)cc3s2)c1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
The InChIKey is NDZJSTUQIFKLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-20-11-4-2-3-9(7-11)14(19)18-15-17-12-6-5-10(16)8-13(12)21-15/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 4.41, 3 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)-3-methylsulfanylbenzamide is sourced from PubChem (CID 7565106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).