5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole

C16H13NS — CID 8831196

IUPAC5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
SMILESCc1ccc2sc(/C=C/c3ccccc3)nc2c1
InChIInChI=1S/C16H13NS/c1-12-7-9-15-14(11-12)17-16(18-15)10-8-13-5-3-2-4-6-13/h2-11H,1H3/b10-8+
InChIKeyZWXSLJSVZYUYSQ-CSKARUKUSA-N
MW251.35 g/mol
LogP4.78
Rot. Bonds2

About 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole

5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole (PubChem CID 8831196) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
PubChem CID8831196
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
SMILESCc1ccc2sc(/C=C/c3ccccc3)nc2c1
InChIInChI=1S/C16H13NS/c1-12-7-9-15-14(11-12)17-16(18-15)10-8-13-5-3-2-4-6-13/h2-11H,1H3/b10-8+
InChIKeyZWXSLJSVZYUYSQ-CSKARUKUSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(E)-2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-benzothiazole
CID 170682224
N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
CID 54266066
2-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-5-methyl-1,3-benzothiazole
CID 18224629
5-methyl-2-[(E)-2-(thiadiazol-4-yl)ethenyl]-1,3-benzothiazole
CID 47034121
4-[2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 3943071
2-amino-4-methylbenzenethiol;2-[(E)-2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-benzothiazole;(E)-3-(4-chlorophenyl)prop-2-enal
CID 162011367
2-[(E)-2-(4-ethenylphenyl)ethenyl]-1,3-benzothiazole
CID 20727324
3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol
CID 6251725
4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 10896445
3-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]aniline
CID 54173344
2-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]ethenyl]-2,5-dimethoxyphenyl]ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 20727321
chloroform;N,N-diphenyl-4-[(E)-2-[2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]ethenyl]aniline
CID 139044492

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
The IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole (CID 8831196) is 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole.
What is the SMILES notation for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
The canonical SMILES for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole is Cc1ccc2sc(/C=C/c3ccccc3)nc2c1.
What is the InChIKey of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
The InChIKey is ZWXSLJSVZYUYSQ-CSKARUKUSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-7-9-15-14(11-12)17-16(18-15)10-8-13-5-3-2-4-6-13/h2-11H,1H3/b10-8+.
What are the key properties of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole?
5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole has a molecular weight of 251.35 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole is sourced from PubChem (CID 8831196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).