4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide

C17H16N2OS — CID 854758

IUPAC4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(18-13-7-2-1-3-8-13)11-6-12-17-19-14-9-4-5-10-15(14)21-17/h1-5,7-10H,6,11-12H2,(H,18,20)
InChIKeyAECXGLIWULKBPF-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.26
Rot. Bonds5

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

4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide (PubChem CID 854758) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
PubChem CID854758
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1ccccc1
InChIInChI=1S/C17H16N2OS/c20-16(18-13-7-2-1-3-8-13)11-6-12-17-19-14-9-4-5-10-15(14)21-17/h1-5,7-10H,6,11-12H2,(H,18,20)
InChIKeyAECXGLIWULKBPF-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide (CID 854758) is 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide is O=C(CCCc1nc2ccccc2s1)Nc1ccccc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
The InChIKey is AECXGLIWULKBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-16(18-13-7-2-1-3-8-13)11-6-12-17-19-14-9-4-5-10-15(14)21-17/h1-5,7-10H,6,11-12H2,(H,18,20).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide has a molecular weight of 296.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide is sourced from PubChem (CID 854758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).