N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide

C16H11N3O2S — CID 687454

IUPACN-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1
InChIInChI=1S/C16H11N3O2S/c1-9(20)17-16-19-12-7-6-10(8-14(12)22-16)15-18-11-4-2-3-5-13(11)21-15/h2-8H,1H3,(H,17,19,20)
InChIKeyYODJPJHMTQNTDA-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.06
Rot. Bonds2

About N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 687454) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID687454
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC NameN-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1
InChIInChI=1S/C16H11N3O2S/c1-9(20)17-16-19-12-7-6-10(8-14(12)22-16)15-18-11-4-2-3-5-13(11)21-15/h2-8H,1H3,(H,17,19,20)
InChIKeyYODJPJHMTQNTDA-UHFFFAOYSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide (CID 687454) is N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1.
What is the InChIKey of N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is YODJPJHMTQNTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-9(20)17-16-19-12-7-6-10(8-14(12)22-16)15-18-11-4-2-3-5-13(11)21-15/h2-8H,1H3,(H,17,19,20).
What are the key properties of N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 309.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 687454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).