N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide

C13H15ClN2OS — CID 3626917

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1nc2c(Cl)cccc2s1
InChIInChI=1S/C13H15ClN2OS/c1-2-3-4-8-11(17)15-13-16-12-9(14)6-5-7-10(12)18-13/h5-7H,2-4,8H2,1H3,(H,15,16,17)
InChIKeyLAOBNEXXRVVMGY-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.47
Rot. Bonds5

About N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide

N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide (PubChem CID 3626917) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
PubChem CID3626917
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1nc2c(Cl)cccc2s1
InChIInChI=1S/C13H15ClN2OS/c1-2-3-4-8-11(17)15-13-16-12-9(14)6-5-7-10(12)18-13/h5-7H,2-4,8H2,1H3,(H,15,16,17)
InChIKeyLAOBNEXXRVVMGY-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-(2-chloro-6-methylphenyl)-2-(hexanoylamino)-1,3-benzothiazole-6-carboxamide
CID 22634194
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
CID 18586778
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546262
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254503
3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43952342

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide (CID 3626917) is N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide is CCCCCC(=O)Nc1nc2c(Cl)cccc2s1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide?
The InChIKey is LAOBNEXXRVVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-3-4-8-11(17)15-13-16-12-9(14)6-5-7-10(12)18-13/h5-7H,2-4,8H2,1H3,(H,15,16,17).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide?
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide has a molecular weight of 282.80 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide is sourced from PubChem (CID 3626917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).