2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole

C14H9F2NS — CID 102236318

IUPAC2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3c(F)cccc3F)sc2c1
InChIInChI=1S/C14H9F2NS/c1-8-5-6-11-12(7-8)18-14(17-11)13-9(15)3-2-4-10(13)16/h2-7H,1H3
InChIKeyHOYQYGHXQJZFJJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP4.55
Rot. Bonds1

About 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole

2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole (PubChem CID 102236318) has the molecular formula C14H9F2NS and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
PubChem CID102236318
Molecular FormulaC14H9F2NS
Molecular Weight261.30 g/mol
Exact Mass261.04
IUPAC Name2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-c3c(F)cccc3F)sc2c1
InChIInChI=1S/C14H9F2NS/c1-8-5-6-11-12(7-8)18-14(17-11)13-9(15)3-2-4-10(13)16/h2-7H,1H3
InChIKeyHOYQYGHXQJZFJJ-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-(2-chloro-6-fluorophenyl)-6-fluoro-1,3-benzothiazole
CID 102236316
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 79142624
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
3-chloro-2-(6-methyl-1,3-benzothiazol-2-yl)benzonitrile
CID 155931557
3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole (CID 102236318) is 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-c3c(F)cccc3F)sc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole?
The InChIKey is HOYQYGHXQJZFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NS/c1-8-5-6-11-12(7-8)18-14(17-11)13-9(15)3-2-4-10(13)16/h2-7H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole?
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole has a molecular weight of 261.30 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 102236318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).