1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone

C16H13NO2S — CID 2344628

IUPAC1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H13NO2S/c1-2-19-12-9-7-11(8-10-12)15(18)16-17-13-5-3-4-6-14(13)20-16/h3-10H,2H2,1H3
InChIKeyVRPHCMUKALKPIG-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.93
Rot. Bonds4

About 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone

1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone (PubChem CID 2344628) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone
PubChem CID2344628
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H13NO2S/c1-2-19-12-9-7-11(8-10-12)15(18)16-17-13-5-3-4-6-14(13)20-16/h3-10H,2H2,1H3
InChIKeyVRPHCMUKALKPIG-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone?
The IUPAC name of 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone (CID 2344628) is 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone.
What is the SMILES notation for 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone?
The canonical SMILES for 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2nc3ccccc3s2)cc1.
What is the InChIKey of 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone?
The InChIKey is VRPHCMUKALKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-19-12-9-7-11(8-10-12)15(18)16-17-13-5-3-4-6-14(13)20-16/h3-10H,2H2,1H3.
What are the key properties of 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone?
1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-yl-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 2344628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).