N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide

C16H13FN2OS — CID 7192604

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C16H13FN2OS/c1-9-7-10(2)14-13(8-9)18-16(21-14)19-15(20)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyXWNMXXVCGOLHJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.30
Rot. Bonds2

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide (PubChem CID 7192604) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
PubChem CID7192604
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESCc1cc(C)c2sc(NC(=O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C16H13FN2OS/c1-9-7-10(2)14-13(8-9)18-16(21-14)19-15(20)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyXWNMXXVCGOLHJM-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914
4-cyano-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 2150716
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 7192786
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 7152613
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565266
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
4-(azepan-1-ylsulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4073267
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 4134437
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
4-fluoro-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 3426312
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide (CID 7192604) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide is Cc1cc(C)c2sc(NC(=O)c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The InChIKey is XWNMXXVCGOLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-7-10(2)14-13(8-9)18-16(21-14)19-15(20)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide has a molecular weight of 300.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 7192604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).