2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one

C15H14N2OS — CID 25181206

IUPAC2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one
SMILESCN(C)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C15H14N2OS/c1-16(2)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)19-17/h3-10H,1-2H3
InChIKeyKCLIHUJTBJQERL-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.12
Rot. Bonds2

About 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one

2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one (PubChem CID 25181206) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one
PubChem CID25181206
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one
SMILESCN(C)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C15H14N2OS/c1-16(2)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)19-17/h3-10H,1-2H3
InChIKeyKCLIHUJTBJQERL-UHFFFAOYSA-N
XLogP3.12
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one (CID 25181206) is 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one is CN(C)c1cccc(-n2sc3ccccc3c2=O)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one?
The InChIKey is KCLIHUJTBJQERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-16(2)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)19-17/h3-10H,1-2H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one?
2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one has a molecular weight of 270.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 25181206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).