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

C16H13FN2OS — CID 11301035

IUPAC3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2s1
InChIInChI=1S/C16H13FN2OS/c1-9-3-4-11(7-13(9)17)16(20)19-12-5-6-15-14(8-12)18-10(2)21-15/h3-8H,1-2H3,(H,19,20)
InChIKeyJTOIQYHCDQCVMX-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.30
Rot. Bonds2

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

3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (PubChem CID 11301035) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
PubChem CID11301035
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2s1
InChIInChI=1S/C16H13FN2OS/c1-9-3-4-11(7-13(9)17)16(20)19-12-5-6-15-14(8-12)18-10(2)21-15/h3-8H,1-2H3,(H,19,20)
InChIKeyJTOIQYHCDQCVMX-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

2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
CID 131921298
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
4-(dipropylsulfamoyl)-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 3518335
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
CID 112525625
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide (CID 11301035) is 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2s1.
What is the InChIKey of 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
The InChIKey is JTOIQYHCDQCVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-9-3-4-11(7-13(9)17)16(20)19-12-5-6-15-14(8-12)18-10(2)21-15/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide?
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide 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 3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide is sourced from PubChem (CID 11301035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).