7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole

C16H14ClNS — CID 123907895

IUPAC7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole
SMILESCCc1c(C)cc2ncsc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNS/c1-3-13-10(2)8-14-16(19-9-18-14)15(13)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyILYKRFIIWPZBOR-UHFFFAOYSA-N
MW287.81 g/mol
LogP5.49
Rot. Bonds2

About 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole

7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole (PubChem CID 123907895) has the molecular formula C16H14ClNS and a molecular weight of 287.81 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole
PubChem CID123907895
Molecular FormulaC16H14ClNS
Molecular Weight287.81 g/mol
Exact Mass287.05
IUPAC Name7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole
SMILESCCc1c(C)cc2ncsc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNS/c1-3-13-10(2)8-14-16(19-9-18-14)15(13)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyILYKRFIIWPZBOR-UHFFFAOYSA-N
XLogP5.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.81
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]ethane-1,2-diol
CID 70982458
7-chloro-6-methyl-1,3-benzothiazole
CID 67962941
2-[2-[4-(4-bromophenyl)phenyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289854
7-(4-chlorophenyl)-6-ethyl-5-methyl-2-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole;ethyl formate;2-methylpropan-2-ol
CID 142316631
2-[7-(4-chlorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289688
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
7-fluoro-5-methyl-1,3-benzothiazole
CID 129148981
7-chloro-5-fluoro-1,3-benzothiazole
CID 175806521
7-(4-chlorophenyl)-5-methyl-2-(2-methylpropyl)-1,3-benzothiazol-6-ol
CID 70981229
2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid
CID 68588391
2-[7-(4-chlorophenyl)-2-(1,2-dimethyl-3-oxoindazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289910
5-chloro-6-methyl-[1,3]thiazolo[5,4-b]pyridine
CID 154727392

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole?
The IUPAC name of 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole (CID 123907895) is 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole?
The canonical SMILES for 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole is CCc1c(C)cc2ncsc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole?
The InChIKey is ILYKRFIIWPZBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS/c1-3-13-10(2)8-14-16(19-9-18-14)15(13)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole?
7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole has a molecular weight of 287.81 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 123907895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).