2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole

C21H16N2S — CID 10758683

IUPAC2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
SMILESCCn1c2ccccc2c2cc(-c3nc4ccccc4s3)ccc21
InChIInChI=1S/C21H16N2S/c1-2-23-18-9-5-3-7-15(18)16-13-14(11-12-19(16)23)21-22-17-8-4-6-10-20(17)24-21/h3-13H,2H2,1H3
InChIKeyHGVWMQMVHVJTGC-UHFFFAOYSA-N
MW328.44 g/mol
LogP6.09
Rot. Bonds2

About 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole

2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole (PubChem CID 10758683) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
PubChem CID10758683
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
SMILESCCn1c2ccccc2c2cc(-c3nc4ccccc4s3)ccc21
InChIInChI=1S/C21H16N2S/c1-2-23-18-9-5-3-7-15(18)16-13-14(11-12-19(16)23)21-22-17-8-4-6-10-20(17)24-21/h3-13H,2H2,1H3
InChIKeyHGVWMQMVHVJTGC-UHFFFAOYSA-N
XLogP6.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole (CID 10758683) is 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole is CCn1c2ccccc2c2cc(-c3nc4ccccc4s3)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
The InChIKey is HGVWMQMVHVJTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2S/c1-2-23-18-9-5-3-7-15(18)16-13-14(11-12-19(16)23)21-22-17-8-4-6-10-20(17)24-21/h3-13H,2H2,1H3.
What are the key properties of 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole has a molecular weight of 328.44 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 10758683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).