2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole

C20H15NOS — CID 92933975

IUPAC2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
SMILESCOc1ccc(/C=C\c2nc3c(ccc4ccccc43)s2)cc1
InChIInChI=1S/C20H15NOS/c1-22-16-10-6-14(7-11-16)8-13-19-21-20-17-5-3-2-4-15(17)9-12-18(20)23-19/h2-13H,1H3/b13-8-
InChIKeyBWNVWBAPVYDRDV-JYRVWZFOSA-N
MW317.41 g/mol
LogP5.63
Rot. Bonds3

About 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole

2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole (PubChem CID 92933975) has the molecular formula C20H15NOS and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
PubChem CID92933975
Molecular FormulaC20H15NOS
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
SMILESCOc1ccc(/C=C\c2nc3c(ccc4ccccc43)s2)cc1
InChIInChI=1S/C20H15NOS/c1-22-16-10-6-14(7-11-16)8-13-19-21-20-17-5-3-2-4-15(17)9-12-18(20)23-19/h2-13H,1H3/b13-8-
InChIKeyBWNVWBAPVYDRDV-JYRVWZFOSA-N
XLogP5.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966840
2-[2-(4-phenoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 4238915
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]benzo[e][1,3]benzothiazole
CID 3940763
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethoxyphenol
CID 135593938
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966822
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2-chloro-6-methoxyphenol
CID 135763603
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethylphenol
CID 135591315
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]benzo[e][1,3]benzothiazole
CID 3403870
2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
CID 58659825
3-[4-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)-N-ethylanilino]propanenitrile
CID 139798131
2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 3969786
N-[2-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)ethenyl]propan-1-amine
CID 2983485

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole?
The IUPAC name of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole (CID 92933975) is 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole.
What is the SMILES notation for 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole?
The canonical SMILES for 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole is COc1ccc(/C=C\c2nc3c(ccc4ccccc43)s2)cc1.
What is the InChIKey of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole?
The InChIKey is BWNVWBAPVYDRDV-JYRVWZFOSA-N. The full InChI is InChI=1S/C20H15NOS/c1-22-16-10-6-14(7-11-16)8-13-19-21-20-17-5-3-2-4-15(17)9-12-18(20)23-19/h2-13H,1H3/b13-8-.
What are the key properties of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole?
2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole has a molecular weight of 317.41 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole is sourced from PubChem (CID 92933975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).