N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide

C18H17FN2O2S — CID 18932318

IUPACN-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1
InChIInChI=1S/C18H17FN2O2S/c1-2-3-17(22)20-13-5-7-14(8-6-13)23-11-18-21-15-10-12(19)4-9-16(15)24-18/h4-10H,2-3,11H2,1H3,(H,20,22)
InChIKeyQTRBGTSUGJNPEN-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.75
Rot. Bonds6

About N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide

N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide (PubChem CID 18932318) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide
PubChem CID18932318
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1
InChIInChI=1S/C18H17FN2O2S/c1-2-3-17(22)20-13-5-7-14(8-6-13)23-11-18-21-15-10-12(19)4-9-16(15)24-18/h4-10H,2-3,11H2,1H3,(H,20,22)
InChIKeyQTRBGTSUGJNPEN-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]anilino]acetaldehyde
CID 173352136
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[5-[(5-fluoro-2-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]butanamide
CID 46379279
1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8801560
N-(3,5-difluoro-4-methoxyphenyl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86897505
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
CID 18932476
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 16616704
N-(4-decoxyphenyl)butanamide
CID 143303175

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide?
The IUPAC name of N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide (CID 18932318) is N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide.
What is the SMILES notation for N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide?
The canonical SMILES for N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide is CCCC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1.
What is the InChIKey of N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide?
The InChIKey is QTRBGTSUGJNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-2-3-17(22)20-13-5-7-14(8-6-13)23-11-18-21-15-10-12(19)4-9-16(15)24-18/h4-10H,2-3,11H2,1H3,(H,20,22).
What are the key properties of N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide?
N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide has a molecular weight of 344.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide is sourced from PubChem (CID 18932318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).