N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide

C16H12F2N2OS — CID 16606856

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H12F2N2OS/c1-20(16(21)15-10(17)5-4-6-11(15)18)9-14-19-12-7-2-3-8-13(12)22-14/h2-8H,9H2,1H3
InChIKeyFMNBXPGXJCBMBT-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.85
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide (PubChem CID 16606856) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
PubChem CID16606856
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H12F2N2OS/c1-20(16(21)15-10(17)5-4-6-11(15)18)9-14-19-12-7-2-3-8-13(12)22-14/h2-8H,9H2,1H3
InChIKeyFMNBXPGXJCBMBT-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-3-(methoxymethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 24549964
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
CID 41440557
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-2,3,5-trichloro-6-hydroxy-N-methylbenzamide
CID 112820955
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-N-methylfuran-2-carboxamide
CID 18117583
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide (CID 16606856) is N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide is CN(Cc1nc2ccccc2s1)C(=O)c1c(F)cccc1F.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide?
The InChIKey is FMNBXPGXJCBMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-20(16(21)15-10(17)5-4-6-11(15)18)9-14-19-12-7-2-3-8-13(12)22-14/h2-8H,9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide has a molecular weight of 318.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide is sourced from PubChem (CID 16606856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).