2-(4-ethylphenyl)-1,3-benzothiazole

C15H13NS — CID 17307932

IUPAC2-(4-ethylphenyl)-1,3-benzothiazole
SMILESCCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13NS/c1-2-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17-15/h3-10H,2H2,1H3
InChIKeyXOWDLFMSCSZBEP-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.53
Rot. Bonds2

About 2-(4-ethylphenyl)-1,3-benzothiazole

2-(4-ethylphenyl)-1,3-benzothiazole (PubChem CID 17307932) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,3-benzothiazole
PubChem CID17307932
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-(4-ethylphenyl)-1,3-benzothiazole
SMILESCCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H13NS/c1-2-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17-15/h3-10H,2H2,1H3
InChIKeyXOWDLFMSCSZBEP-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

2-[4-(ethylsulfanylmethyl)phenyl]-1,3-benzothiazole
CID 14762301
4-(1,3-benzothiazol-2-yl)-N-ethylaniline
CID 83380375
6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
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
2-[4-(1,3-benzothiazol-2-yl)phenyl]acetonitrile
CID 14762304
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
CID 46502801
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-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(4-ethylphenyl)-1,3-benzothiazole (CID 17307932) is 2-(4-ethylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-ethylphenyl)-1,3-benzothiazole is CCc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,3-benzothiazole?
The InChIKey is XOWDLFMSCSZBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-2-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17-15/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1,3-benzothiazole?
2-(4-ethylphenyl)-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 2-(4-ethylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 17307932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).