N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide

C21H16N2OS — CID 1280523

IUPACN-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2OS/c24-21(23-17-11-12-18-19(13-17)25-14-22-18)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H,23,24)
InChIKeyPYTPLVTYBISOCU-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.07
Rot. Bonds4

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

N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide (PubChem CID 1280523) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide
PubChem CID1280523
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC NameN-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide
SMILESO=C(Nc1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2OS/c24-21(23-17-11-12-18-19(13-17)25-14-22-18)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H,23,24)
InChIKeyPYTPLVTYBISOCU-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide (CID 1280523) is N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide is O=C(Nc1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide?
The InChIKey is PYTPLVTYBISOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c24-21(23-17-11-12-18-19(13-17)25-14-22-18)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,(H,23,24).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide?
N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide has a molecular weight of 344.44 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 1280523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).