3-(6-ethyl-1,3-benzothiazol-2-yl)aniline

C15H14N2S — CID 54858916

IUPAC3-(6-ethyl-1,3-benzothiazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3cccc(N)c3)sc2c1
InChIInChI=1S/C15H14N2S/c1-2-10-6-7-13-14(8-10)18-15(17-13)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3
InChIKeyAYQHGYCCSNTYPG-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.11
Rot. Bonds2

About 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline

3-(6-ethyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 54858916) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name3-(6-ethyl-1,3-benzothiazol-2-yl)aniline
PubChem CID54858916
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name3-(6-ethyl-1,3-benzothiazol-2-yl)aniline
SMILESCCc1ccc2nc(-c3cccc(N)c3)sc2c1
InChIInChI=1S/C15H14N2S/c1-2-10-6-7-13-14(8-10)18-15(17-13)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3
InChIKeyAYQHGYCCSNTYPG-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858964
2-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 117093251
4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 54859288
3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247351
6-ethyl-2-[6-(6-ethyl-1,3-benzothiazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzothiazole
CID 168740940
2-tert-butyl-6-ethyl-1,3-benzothiazole;ethane
CID 142320574
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline (CID 54858916) is 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline is CCc1ccc2nc(-c3cccc(N)c3)sc2c1.
What is the InChIKey of 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is AYQHGYCCSNTYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-10-6-7-13-14(8-10)18-15(17-13)11-4-3-5-12(16)9-11/h3-9H,2,16H2,1H3.
What are the key properties of 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline?
3-(6-ethyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 254.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 54858916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).