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

C15H11NOS — CID 2125435

IUPAC1-(1,3-benzothiazol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H11NOS/c17-13(10-11-6-2-1-3-7-11)15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChIKeyFEGRXWKXYVKSOA-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.72
Rot. Bonds3

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

1-(1,3-benzothiazol-2-yl)-2-phenylethanone (PubChem CID 2125435) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-phenylethanone
PubChem CID2125435
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H11NOS/c17-13(10-11-6-2-1-3-7-11)15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2
InChIKeyFEGRXWKXYVKSOA-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 1-(1,3-benzothiazol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-phenylethanone (CID 2125435) is 1-(1,3-benzothiazol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-phenylethanone?
The InChIKey is FEGRXWKXYVKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-13(10-11-6-2-1-3-7-11)15-16-12-8-4-5-9-14(12)18-15/h1-9H,10H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-phenylethanone?
1-(1,3-benzothiazol-2-yl)-2-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 1-(1,3-benzothiazol-2-yl)-2-phenylethanone is sourced from PubChem (CID 2125435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).