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

C15H14N2S — CID 83380375

IUPAC4-(1,3-benzothiazol-2-yl)-N-ethylaniline
SMILESCCNc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3
InChIKeyYOTWMBDNLPNRKE-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.40
Rot. Bonds3

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

4-(1,3-benzothiazol-2-yl)-N-ethylaniline (PubChem CID 83380375) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-ethylaniline.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-ethylaniline
PubChem CID83380375
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-ethylaniline
SMILESCCNc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3
InChIKeyYOTWMBDNLPNRKE-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-[4-(ethylsulfanylmethyl)phenyl]-1,3-benzothiazole
CID 14762301
4-[4-(1,3-benzothiazol-2-yl)phenyl]-N-ethynylaniline
CID 151910033
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894586
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 885171
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylprop-2-enamide
CID 9349652
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-ethylaniline?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-ethylaniline (CID 83380375) is 4-(1,3-benzothiazol-2-yl)-N-ethylaniline.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-ethylaniline?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-ethylaniline is CCNc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-ethylaniline?
The InChIKey is YOTWMBDNLPNRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-16-12-9-7-11(8-10-12)15-17-13-5-3-4-6-14(13)18-15/h3-10,16H,2H2,1H3.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-ethylaniline?
4-(1,3-benzothiazol-2-yl)-N-ethylaniline has a molecular weight of 254.36 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-ethylaniline is sourced from PubChem (CID 83380375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).