N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide

C17H15FN2O2S — CID 17412880

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H15FN2O2S/c1-20(8-9-22-15-5-3-2-4-13(15)18)17(21)12-6-7-14-16(10-12)23-11-19-14/h2-7,10-11H,8-9H2,1H3
InChIKeyCMRARVAKGASVKM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 17412880) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID17412880
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C17H15FN2O2S/c1-20(8-9-22-15-5-3-2-4-13(15)18)17(21)12-6-7-14-16(10-12)23-11-19-14/h2-7,10-11H,8-9H2,1H3
InChIKeyCMRARVAKGASVKM-UHFFFAOYSA-N
XLogP3.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
N'-[2-(2-fluorophenoxy)acetyl]-1,3-benzothiazole-6-carbohydrazide
CID 7809035
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 55760023
N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide (CID 17412880) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide is CN(CCOc1ccccc1F)C(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is CMRARVAKGASVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-20(8-9-22-15-5-3-2-4-13(15)18)17(21)12-6-7-14-16(10-12)23-11-19-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 17412880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).