6-ethyl-2-phenyl-1,3-benzothiazole

C15H13NS — CID 54858915

IUPAC6-ethyl-2-phenyl-1,3-benzothiazole
SMILESCCc1ccc2nc(-c3ccccc3)sc2c1
InChIInChI=1S/C15H13NS/c1-2-11-8-9-13-14(10-11)17-15(16-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyMBDPOQOYFOELIK-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.53
Rot. Bonds2

About 6-ethyl-2-phenyl-1,3-benzothiazole

6-ethyl-2-phenyl-1,3-benzothiazole (PubChem CID 54858915) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-ethyl-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-ethyl-2-phenyl-1,3-benzothiazole
PubChem CID54858915
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name6-ethyl-2-phenyl-1,3-benzothiazole
SMILESCCc1ccc2nc(-c3ccccc3)sc2c1
InChIInChI=1S/C15H13NS/c1-2-11-8-9-13-14(10-11)17-15(16-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyMBDPOQOYFOELIK-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858916
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2,6-dichloro-4-(6-ethyl-1,3-benzothiazol-2-yl)aniline
CID 54858964
2-tert-butyl-6-ethyl-1,3-benzothiazole;ethane
CID 142320574
6-bromo-2-phenyl-1,3-benzothiazole;N-methylmethanamine
CID 67438719
6-ethyl-2-[6-(6-ethyl-1,3-benzothiazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzothiazole
CID 168740940
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
(2-phenyl-1,3-benzothiazol-6-yl)boronic acid
CID 131531853
2-phenyl-6-(2-phenylethynyl)-1,3-benzothiazole
CID 90444281
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2-phenyl-1,3-benzothiazole-5,6-diol
CID 141168347

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-phenyl-1,3-benzothiazole?
The IUPAC name of 6-ethyl-2-phenyl-1,3-benzothiazole (CID 54858915) is 6-ethyl-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 6-ethyl-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 6-ethyl-2-phenyl-1,3-benzothiazole is CCc1ccc2nc(-c3ccccc3)sc2c1.
What is the InChIKey of 6-ethyl-2-phenyl-1,3-benzothiazole?
The InChIKey is MBDPOQOYFOELIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-2-11-8-9-13-14(10-11)17-15(16-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 6-ethyl-2-phenyl-1,3-benzothiazole?
6-ethyl-2-phenyl-1,3-benzothiazole has a molecular weight of 239.34 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 54858915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).