N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide

C17H15FN2OS — CID 34256400

IUPACN-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1ccccc1F)c1nc2ccccc2s1
InChIInChI=1S/C17H15FN2OS/c1-20(17-19-14-8-4-5-9-15(14)22-17)16(21)11-10-12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3
InChIKeyFOYUYVCBIIJIIS-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.03
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide

N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide (PubChem CID 34256400) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
PubChem CID34256400
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1ccccc1F)c1nc2ccccc2s1
InChIInChI=1S/C17H15FN2OS/c1-20(17-19-14-8-4-5-9-15(14)22-17)16(21)11-10-12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3
InChIKeyFOYUYVCBIIJIIS-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049
N-(1,3-benzothiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 34260376
N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 34252979
N-(1,3-benzothiazol-2-yl)-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 84586908
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 2550239
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
N-(1,3-benzothiazol-2-yl)-2-[2-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
CID 111496378
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-3-(2,5-difluorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 60564321
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)sulfanyl-N-methylacetamide
CID 34256508

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide (CID 34256400) is N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide is CN(C(=O)CCc1ccccc1F)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide?
The InChIKey is FOYUYVCBIIJIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-20(17-19-14-8-4-5-9-15(14)22-17)16(21)11-10-12-6-2-3-7-13(12)18/h2-9H,10-11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide?
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide has a molecular weight of 314.38 g/mol, XLogP of 4.03, 4 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-yl)-3-(2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 34256400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).