N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide

C11H12ClN3OS — CID 91680334

IUPACN-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)c2nc(N)sc2c1
InChIInChI=1S/C11H12ClN3OS/c1-2-3-9(16)14-6-4-7(12)10-8(5-6)17-11(13)15-10/h4-5H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyRYAPRQKIMXTFTE-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.27
Rot. Bonds3

About N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide

N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide (PubChem CID 91680334) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
PubChem CID91680334
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
SMILESCCCC(=O)Nc1cc(Cl)c2nc(N)sc2c1
InChIInChI=1S/C11H12ClN3OS/c1-2-3-9(16)14-6-4-7(12)10-8(5-6)17-11(13)15-10/h4-5H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyRYAPRQKIMXTFTE-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide?
The IUPAC name of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide (CID 91680334) is N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide.
What is the SMILES notation for N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide?
The canonical SMILES for N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide is CCCC(=O)Nc1cc(Cl)c2nc(N)sc2c1.
What is the InChIKey of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide?
The InChIKey is RYAPRQKIMXTFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-2-3-9(16)14-6-4-7(12)10-8(5-6)17-11(13)15-10/h4-5H,2-3H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide?
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide has a molecular weight of 269.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide is sourced from PubChem (CID 91680334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).