N-(5-chloro-2,1-benzothiazol-3-yl)butanamide

C11H11ClN2OS — CID 15586291

IUPACN-(5-chloro-2,1-benzothiazol-3-yl)butanamide
SMILESCCCC(=O)Nc1snc2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2OS/c1-2-3-10(15)13-11-8-6-7(12)4-5-9(8)14-16-11/h4-6H,2-3H2,1H3,(H,13,15)
InChIKeyURKYUWSABNJWHT-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.69
Rot. Bonds3

About N-(5-chloro-2,1-benzothiazol-3-yl)butanamide

N-(5-chloro-2,1-benzothiazol-3-yl)butanamide (PubChem CID 15586291) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is N-(5-chloro-2,1-benzothiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2,1-benzothiazol-3-yl)butanamide
PubChem CID15586291
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC NameN-(5-chloro-2,1-benzothiazol-3-yl)butanamide
SMILESCCCC(=O)Nc1snc2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2OS/c1-2-3-10(15)13-11-8-6-7(12)4-5-9(8)14-16-11/h4-6H,2-3H2,1H3,(H,13,15)
InChIKeyURKYUWSABNJWHT-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1-benzothiazol-3-yl)butanamide?
The IUPAC name of N-(5-chloro-2,1-benzothiazol-3-yl)butanamide (CID 15586291) is N-(5-chloro-2,1-benzothiazol-3-yl)butanamide.
What is the SMILES notation for N-(5-chloro-2,1-benzothiazol-3-yl)butanamide?
The canonical SMILES for N-(5-chloro-2,1-benzothiazol-3-yl)butanamide is CCCC(=O)Nc1snc2ccc(Cl)cc12.
What is the InChIKey of N-(5-chloro-2,1-benzothiazol-3-yl)butanamide?
The InChIKey is URKYUWSABNJWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-3-10(15)13-11-8-6-7(12)4-5-9(8)14-16-11/h4-6H,2-3H2,1H3,(H,13,15).
What are the key properties of N-(5-chloro-2,1-benzothiazol-3-yl)butanamide?
N-(5-chloro-2,1-benzothiazol-3-yl)butanamide has a molecular weight of 254.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1-benzothiazol-3-yl)butanamide is sourced from PubChem (CID 15586291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).