2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole

C21H15FN2S — CID 155929739

IUPAC2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(F)ccc4s3)ccc21
InChIInChI=1S/C21H15FN2S/c1-2-24-18-6-4-3-5-15(18)16-11-13(7-9-19(16)24)21-23-17-12-14(22)8-10-20(17)25-21/h3-12H,2H2,1H3
InChIKeyJPLKHJBMEJHEDU-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.23
Rot. Bonds2

About 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole

2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole (PubChem CID 155929739) has the molecular formula C21H15FN2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole
PubChem CID155929739
Molecular FormulaC21H15FN2S
Molecular Weight346.43 g/mol
Exact Mass346.09
IUPAC Name2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(F)ccc4s3)ccc21
InChIInChI=1S/C21H15FN2S/c1-2-24-18-6-4-3-5-15(18)16-11-13(7-9-19(16)24)21-23-17-12-14(22)8-10-20(17)25-21/h3-12H,2H2,1H3
InChIKeyJPLKHJBMEJHEDU-UHFFFAOYSA-N
XLogP6.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole (CID 155929739) is 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole is CCn1c2ccccc2c2cc(-c3nc4cc(F)ccc4s3)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole?
The InChIKey is JPLKHJBMEJHEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2S/c1-2-24-18-6-4-3-5-15(18)16-11-13(7-9-19(16)24)21-23-17-12-14(22)8-10-20(17)25-21/h3-12H,2H2,1H3.
What are the key properties of 2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole?
2-(9-ethylcarbazol-3-yl)-5-fluoro-1,3-benzothiazole has a molecular weight of 346.43 g/mol, XLogP of 6.23, 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)-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 155929739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).