N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide

C11H11FN2OS — CID 7193256

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C11H11FN2OS/c1-2-4-9(15)13-11-14-10-7(12)5-3-6-8(10)16-11/h3,5-6H,2,4H2,1H3,(H,13,14,15)
InChIKeyRBKURMGEDXDOGK-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.17
Rot. Bonds3

About N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide

N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide (PubChem CID 7193256) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
PubChem CID7193256
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(F)cccc2s1
InChIInChI=1S/C11H11FN2OS/c1-2-4-9(15)13-11-14-10-7(12)5-3-6-8(10)16-11/h3,5-6H,2,4H2,1H3,(H,13,14,15)
InChIKeyRBKURMGEDXDOGK-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 53269327
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254619
2-ethoxy-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 134714245
2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 134699243
3-(4-ethoxy-3-methoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 53269263
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide (CID 7193256) is N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)Nc1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is RBKURMGEDXDOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-2-4-9(15)13-11-14-10-7(12)5-3-6-8(10)16-11/h3,5-6H,2,4H2,1H3,(H,13,14,15).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 238.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 7193256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).