N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide

C17H15FN2O2S — CID 2549979

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C17H15FN2O2S/c1-22-14-5-3-2-4-11(14)6-9-16(21)20-17-19-13-8-7-12(18)10-15(13)23-17/h2-5,7-8,10H,6,9H2,1H3,(H,19,20,21)
InChIKeyWHYWJTVRWVZNSU-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.02
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 2549979) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID2549979
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C17H15FN2O2S/c1-22-14-5-3-2-4-11(14)6-9-16(21)20-17-19-13-8-7-12(18)10-15(13)23-17/h2-5,7-8,10H,6,9H2,1H3,(H,19,20,21)
InChIKeyWHYWJTVRWVZNSU-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
CID 51336701
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 35271725
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524229
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 126420574
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509129
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide (CID 2549979) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is WHYWJTVRWVZNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-22-14-5-3-2-4-11(14)6-9-16(21)20-17-19-13-8-7-12(18)10-15(13)23-17/h2-5,7-8,10H,6,9H2,1H3,(H,19,20,21).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2549979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).