N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide

C16H13FN2OS — CID 141404422

IUPACN-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3cc(F)c(C)cc3s2)cc1
InChIInChI=1S/C16H13FN2OS/c1-9-3-5-11(6-4-9)15(20)19-16-18-13-8-12(17)10(2)7-14(13)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNUOAIIAKAIGMQC-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.30
Rot. Bonds2

About N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide

N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 141404422) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID141404422
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC NameN-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3cc(F)c(C)cc3s2)cc1
InChIInChI=1S/C16H13FN2OS/c1-9-3-5-11(6-4-9)15(20)19-16-18-13-8-12(17)10(2)7-14(13)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyNUOAIIAKAIGMQC-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

4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 7192604
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 141404422) is N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3cc(F)c(C)cc3s2)cc1.
What is the InChIKey of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is NUOAIIAKAIGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-3-5-11(6-4-9)15(20)19-16-18-13-8-12(17)10(2)7-14(13)21-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide 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-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 141404422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).