5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole

C21H17NS — CID 4031043

IUPAC5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole
SMILESCc1cc2nc(C=Cc3cccc4ccccc34)sc2cc1C
InChIInChI=1S/C21H17NS/c1-14-12-19-20(13-15(14)2)23-21(22-19)11-10-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,1-2H3
InChIKeyLXGLPUKRDTWUPC-UHFFFAOYSA-N
MW315.44 g/mol
LogP6.24
Rot. Bonds2

About 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole

5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole (PubChem CID 4031043) has the molecular formula C21H17NS and a molecular weight of 315.44 g/mol. Its IUPAC name is 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole
PubChem CID4031043
Molecular FormulaC21H17NS
Molecular Weight315.44 g/mol
Exact Mass315.11
IUPAC Name5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole
SMILESCc1cc2nc(C=Cc3cccc4ccccc34)sc2cc1C
InChIInChI=1S/C21H17NS/c1-14-12-19-20(13-15(14)2)23-21(22-19)11-10-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,1-2H3
InChIKeyLXGLPUKRDTWUPC-UHFFFAOYSA-N
XLogP6.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.44
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-chlorophenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 5131646
3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol
CID 6251725
4-[2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 3943071
4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
CID 67805142
5,6-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 6147969
1-[2-[2-methyl-4-(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 71388289
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
1,2-dimethyl-4-[(E)-2-naphthalen-1-ylethenyl]naphthalene
CID 6253992
5-methyl-2-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-benzothiazole
CID 170682224
2-[(E)-2-[2-(difluoromethoxy)-3-methoxyphenyl]ethenyl]-1,3-benzothiazole
CID 7966883
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethylphenol
CID 135591315
5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
CID 8831196

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole?
The IUPAC name of 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole (CID 4031043) is 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole.
What is the SMILES notation for 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole?
The canonical SMILES for 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole is Cc1cc2nc(C=Cc3cccc4ccccc34)sc2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole?
The InChIKey is LXGLPUKRDTWUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NS/c1-14-12-19-20(13-15(14)2)23-21(22-19)11-10-17-8-5-7-16-6-3-4-9-18(16)17/h3-13H,1-2H3.
What are the key properties of 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole?
5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole has a molecular weight of 315.44 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole is sourced from PubChem (CID 4031043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).