4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline

C17H18N2S — CID 12555114

IUPAC4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2nsc3ccccc23)cc1
InChIInChI=1S/C17H18N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)20-18-17/h5-12H,3-4H2,1-2H3
InChIKeyBNWFWQLPYITUCN-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.81
Rot. Bonds4

About 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline

4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline (PubChem CID 12555114) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline
PubChem CID12555114
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2nsc3ccccc23)cc1
InChIInChI=1S/C17H18N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)20-18-17/h5-12H,3-4H2,1-2H3
InChIKeyBNWFWQLPYITUCN-UHFFFAOYSA-N
XLogP4.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
CID 71339197
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine
CID 56621026
3-quinolin-3-yl-1,2-benzothiazole
CID 91408320
N,N-diethylaniline
CID 7061
N,N-diethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylaniline
CID 132545400
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
4-[5-[4-(diethylamino)phenyl]-1-phenylimidazol-4-yl]-N,N-diethylaniline
CID 139637944
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
CID 139802778

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline?
The IUPAC name of 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline (CID 12555114) is 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline is CCN(CC)c1ccc(-c2nsc3ccccc23)cc1.
What is the InChIKey of 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline?
The InChIKey is BNWFWQLPYITUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-15-7-5-6-8-16(15)20-18-17/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline?
4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline has a molecular weight of 282.41 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline is sourced from PubChem (CID 12555114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).