N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide

C13H15N3O2S — CID 958650

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C13H15N3O2S/c1-3-4-12(18)16-13-15-10-6-5-9(14-8(2)17)7-11(10)19-13/h5-7H,3-4H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyJBOMRTLUEDHASI-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.99
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide

N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide (PubChem CID 958650) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)butanamide
PubChem CID958650
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C13H15N3O2S/c1-3-4-12(18)16-13-15-10-6-5-9(14-8(2)17)7-11(10)19-13/h5-7H,3-4H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyJBOMRTLUEDHASI-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide (CID 958650) is N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is JBOMRTLUEDHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-4-12(18)16-13-15-10-6-5-9(14-8(2)17)7-11(10)19-13/h5-7H,3-4H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 277.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 958650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).