1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone

C18H11NOS — CID 102192371

IUPAC1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1nc2ccccc2s1
InChIInChI=1S/C18H11NOS/c20-17(18-19-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyIVJMXHFPDOOVBA-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.68
Rot. Bonds2

About 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone

1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone (PubChem CID 102192371) has the molecular formula C18H11NOS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone
PubChem CID102192371
Molecular FormulaC18H11NOS
Molecular Weight289.36 g/mol
Exact Mass289.06
IUPAC Name1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1nc2ccccc2s1
InChIInChI=1S/C18H11NOS/c20-17(18-19-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyIVJMXHFPDOOVBA-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone (CID 102192371) is 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone is O=C(c1ccc2ccccc2c1)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone?
The InChIKey is IVJMXHFPDOOVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NOS/c20-17(18-19-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H.
What are the key properties of 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone?
1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl(naphthalen-2-yl)methanone is sourced from PubChem (CID 102192371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).