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

C11H9FN2OS — CID 4228851

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)C1CC1
InChIInChI=1S/C11H9FN2OS/c12-7-3-4-8-9(5-7)16-11(13-8)14-10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14,15)
InChIKeyXXNOQKJQGOFDDX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.78
Rot. Bonds2

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

N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 4228851) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID4228851
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2ccc(F)cc2s1)C1CC1
InChIInChI=1S/C11H9FN2OS/c12-7-3-4-8-9(5-7)16-11(13-8)14-10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14,15)
InChIKeyXXNOQKJQGOFDDX-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831705
1-(1,3-benzoxazol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16592732
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
cis-(1S,3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389450
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylprop-2-enamide
CID 108739014
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)but-2-enamide
CID 108761712

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 4228851) is N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2ccc(F)cc2s1)C1CC1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is XXNOQKJQGOFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-7-3-4-8-9(5-7)16-11(13-8)14-10(15)6-1-2-6/h3-6H,1-2H2,(H,13,14,15).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 4228851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).