2-(1,3-benzothiazol-2-yl)-1-phenylethanone

C15H11NOS — CID 2435387

IUPAC2-(1,3-benzothiazol-2-yl)-1-phenylethanone
SMILESO=C(Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H11NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChIKeyWOBXNQIHAIRCIN-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.72
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-phenylethanone

2-(1,3-benzothiazol-2-yl)-1-phenylethanone (PubChem CID 2435387) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-phenylethanone
PubChem CID2435387
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-phenylethanone
SMILESO=C(Cc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C15H11NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChIKeyWOBXNQIHAIRCIN-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-phenylethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-phenylethanone (CID 2435387) is 2-(1,3-benzothiazol-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-phenylethanone is O=C(Cc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-phenylethanone?
The InChIKey is WOBXNQIHAIRCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-13(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-phenylethanone?
2-(1,3-benzothiazol-2-yl)-1-phenylethanone has a molecular weight of 253.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-phenylethanone is sourced from PubChem (CID 2435387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).