4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline

C15H16N2S — CID 2803246

IUPAC4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C15H16N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10,15-16H,1-2H3
InChIKeyUZXBDGBDHBUIPZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.97
Rot. Bonds2

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

4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline (PubChem CID 2803246) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
PubChem CID2803246
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C15H16N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10,15-16H,1-2H3
InChIKeyUZXBDGBDHBUIPZ-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline (CID 2803246) is 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C2Nc3ccccc3S2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline?
The InChIKey is UZXBDGBDHBUIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10,15-16H,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline?
4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline has a molecular weight of 256.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 2803246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).