2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole

C22H16N2S — CID 6265445

IUPAC2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole
SMILESCn1c2ccccc2c2ccc(/C=C/c3nc4ccccc4s3)cc21
InChIInChI=1S/C22H16N2S/c1-24-19-8-4-2-6-16(19)17-12-10-15(14-20(17)24)11-13-22-23-18-7-3-5-9-21(18)25-22/h2-14H,1H3/b13-11+
InChIKeyGPLTVHYROVHXPL-ACCUITESSA-N
MW340.45 g/mol
LogP6.11
Rot. Bonds2

About 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole

2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole (PubChem CID 6265445) has the molecular formula C22H16N2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole
PubChem CID6265445
Molecular FormulaC22H16N2S
Molecular Weight340.45 g/mol
Exact Mass340.10
IUPAC Name2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole
SMILESCn1c2ccccc2c2ccc(/C=C/c3nc4ccccc4s3)cc21
InChIInChI=1S/C22H16N2S/c1-24-19-8-4-2-6-16(19)17-12-10-15(14-20(17)24)11-13-22-23-18-7-3-5-9-21(18)25-22/h2-14H,1H3/b13-11+
InChIKeyGPLTVHYROVHXPL-ACCUITESSA-N
XLogP6.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5378081
CID 5378081
CID 16953
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CID 95755
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CID 6364517
CID 6364517
CID 82450
CID 82450
CID 5473758
CID 5473758
CID 6364602
CID 6364602
CID 16078948
CID 16078948
CID 233874
CID 233874
CID 5709760
CID 5709760
CID 6433478
CID 6433478
CID 1549069
CID 1549069

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole (CID 6265445) is 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole is Cn1c2ccccc2c2ccc(/C=C/c3nc4ccccc4s3)cc21.
What is the InChIKey of 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole?
The InChIKey is GPLTVHYROVHXPL-ACCUITESSA-N. The full InChI is InChI=1S/C22H16N2S/c1-24-19-8-4-2-6-16(19)17-12-10-15(14-20(17)24)11-13-22-23-18-7-3-5-9-21(18)25-22/h2-14H,1H3/b13-11+.
What are the key properties of 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole?
2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole has a molecular weight of 340.45 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(9-methylcarbazol-2-yl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 6265445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).