2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

C18H17FN2O2S — CID 18853993

IUPAC2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C18H17FN2O2S/c1-3-15(23-13-7-5-12(19)6-8-13)17(22)21-18-20-14-9-4-11(2)10-16(14)24-18/h4-10,15H,3H2,1-2H3,(H,20,21,22)
InChIKeyFDPKVVYTSSUTSB-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.54
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 18853993) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID18853993
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C18H17FN2O2S/c1-3-15(23-13-7-5-12(19)6-8-13)17(22)21-18-20-14-9-4-11(2)10-16(14)24-18/h4-10,15H,3H2,1-2H3,(H,20,21,22)
InChIKeyFDPKVVYTSSUTSB-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 35122221
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 18853997
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 24627839
2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 17190951
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 1370678
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 35042968
(2S)-2-bromo-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 28662332
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (CID 18853993) is 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is FDPKVVYTSSUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-15(23-13-7-5-12(19)6-8-13)17(22)21-18-20-14-9-4-11(2)10-16(14)24-18/h4-10,15H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 344.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 18853993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).