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

C21H15ClN2S — CID 155929741

IUPAC6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
SMILESCCn1c2ccccc2c2cc(-c3nc4ccc(Cl)cc4s3)ccc21
InChIInChI=1S/C21H15ClN2S/c1-2-24-18-6-4-3-5-15(18)16-11-13(7-10-19(16)24)21-23-17-9-8-14(22)12-20(17)25-21/h3-12H,2H2,1H3
InChIKeyIEDSXHMQMZYKNQ-UHFFFAOYSA-N
MW362.89 g/mol
LogP6.74
Rot. Bonds2

About 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole

6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole (PubChem CID 155929741) has the molecular formula C21H15ClN2S and a molecular weight of 362.89 g/mol. Its IUPAC name is 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
PubChem CID155929741
Molecular FormulaC21H15ClN2S
Molecular Weight362.89 g/mol
Exact Mass362.06
IUPAC Name6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
SMILESCCn1c2ccccc2c2cc(-c3nc4ccc(Cl)cc4s3)ccc21
InChIInChI=1S/C21H15ClN2S/c1-2-24-18-6-4-3-5-15(18)16-11-13(7-10-19(16)24)21-23-17-9-8-14(22)12-20(17)25-21/h3-12H,2H2,1H3
InChIKeyIEDSXHMQMZYKNQ-UHFFFAOYSA-N
XLogP6.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.89
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-benzothiazol-2-yl)-9-ethylcarbazole-3-carbaldehyde
CID 141259148
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
9-ethyl-3-[8-[3-[8-(9-ethylcarbazol-3-yl)dibenzothiophen-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 58038560
2-(3-bromophenyl)-6-chloro-1,3-benzothiazole
CID 95910629
9-ethyl-3-[5-[4-[2-[4-[5-(9-ethylcarbazol-3-yl)thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-3-yl]phenyl]thiophen-2-yl]carbazole
CID 101215396
2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54719467
3-(6-chloro-1,3-benzothiazol-2-yl)benzoic acid
CID 79528960
9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole
CID 59403674
6-ethyl-2-[6-(6-ethyl-1,3-benzothiazol-2-yl)-9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzothiazole
CID 168740940
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole (CID 155929741) is 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole is CCn1c2ccccc2c2cc(-c3nc4ccc(Cl)cc4s3)ccc21.
What is the InChIKey of 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
The InChIKey is IEDSXHMQMZYKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2S/c1-2-24-18-6-4-3-5-15(18)16-11-13(7-10-19(16)24)21-23-17-9-8-14(22)12-20(17)25-21/h3-12H,2H2,1H3.
What are the key properties of 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole?
6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole has a molecular weight of 362.89 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 155929741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).