3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol

C17H15NOS — CID 6251725

IUPAC3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESCc1cc2nc(/C=C/c3cccc(O)c3)sc2cc1C
InChIInChI=1S/C17H15NOS/c1-11-8-15-16(9-12(11)2)20-17(18-15)7-6-13-4-3-5-14(19)10-13/h3-10,19H,1-2H3/b7-6+
InChIKeyAMFQHMDQLXOHMO-VOTSOKGWSA-N
MW281.38 g/mol
LogP4.79
Rot. Bonds2

About 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol

3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol (PubChem CID 6251725) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol
PubChem CID6251725
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol
SMILESCc1cc2nc(/C=C/c3cccc(O)c3)sc2cc1C
InChIInChI=1S/C17H15NOS/c1-11-8-15-16(9-12(11)2)20-17(18-15)7-6-13-4-3-5-14(19)10-13/h3-10,19H,1-2H3/b7-6+
InChIKeyAMFQHMDQLXOHMO-VOTSOKGWSA-N
XLogP4.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-benzothiazole
CID 6147969
4-[2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-N,N-diphenylaniline
CID 3943071
2-bromo-4-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]-6-methoxyphenol
CID 135752315
5,6-dimethyl-2-(2-naphthalen-1-ylethenyl)-1,3-benzothiazole
CID 4031043
2-[2-(2-chlorophenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 5131646
3-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 58342006
3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 67238148
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
5-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazole
CID 8831196
2-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 6183542
2-[2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5,6-dimethyl-1,3-benzothiazole
CID 3921708
4-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]-2,6-dimethylphenol
CID 135556592

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol (CID 6251725) is 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol is Cc1cc2nc(/C=C/c3cccc(O)c3)sc2cc1C.
What is the InChIKey of 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol?
The InChIKey is AMFQHMDQLXOHMO-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H15NOS/c1-11-8-15-16(9-12(11)2)20-17(18-15)7-6-13-4-3-5-14(19)10-13/h3-10,19H,1-2H3/b7-6+.
What are the key properties of 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol?
3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol has a molecular weight of 281.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(5,6-dimethyl-1,3-benzothiazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 6251725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).