6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole

C14H9ClFNS — CID 102236319

IUPAC6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
SMILESCc1ccc(F)c(-c2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H9ClFNS/c1-8-2-4-11(16)10(6-8)14-17-12-5-3-9(15)7-13(12)18-14/h2-7H,1H3
InChIKeyYUXGMFZHIRHFND-UHFFFAOYSA-N
MW277.75 g/mol
LogP5.06
Rot. Bonds1

About 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole

6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole (PubChem CID 102236319) has the molecular formula C14H9ClFNS and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
PubChem CID102236319
Molecular FormulaC14H9ClFNS
Molecular Weight277.75 g/mol
Exact Mass277.01
IUPAC Name6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
SMILESCc1ccc(F)c(-c2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H9ClFNS/c1-8-2-4-11(16)10(6-8)14-17-12-5-3-9(15)7-13(12)18-14/h2-7H,1H3
InChIKeyYUXGMFZHIRHFND-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.75
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 79142624
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46392568
4-(6-chloro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 45361803
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole (CID 102236319) is 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole is Cc1ccc(F)c(-c2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole?
The InChIKey is YUXGMFZHIRHFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNS/c1-8-2-4-11(16)10(6-8)14-17-12-5-3-9(15)7-13(12)18-14/h2-7H,1H3.
What are the key properties of 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole?
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole has a molecular weight of 277.75 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 102236319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).