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

C12H14N2O2S — CID 743852

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C12H14N2O2S/c1-3-4-11(15)14-12-13-9-6-5-8(16-2)7-10(9)17-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyCZQSNPBCXGWFAZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.04
Rot. Bonds4

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

N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (PubChem CID 743852) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
PubChem CID743852
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2ccc(OC)cc2s1
InChIInChI=1S/C12H14N2O2S/c1-3-4-11(15)14-12-13-9-6-5-8(16-2)7-10(9)17-12/h5-7H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyCZQSNPBCXGWFAZ-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (CID 743852) is N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)Nc1nc2ccc(OC)cc2s1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is CZQSNPBCXGWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-4-11(15)14-12-13-9-6-5-8(16-2)7-10(9)17-12/h5-7H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 250.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 743852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).