2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole

C14H9F2NS — CID 174756262

IUPAC2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole
SMILESCc1cccc2sc(-c3cccc(F)c3F)nc12
InChIInChI=1S/C14H9F2NS/c1-8-4-2-7-11-13(8)17-14(18-11)9-5-3-6-10(15)12(9)16/h2-7H,1H3
InChIKeyLCEFCLJJVGTMLW-UHFFFAOYSA-N
MW261.30 g/mol
LogP4.55
Rot. Bonds1

About 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole

2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole (PubChem CID 174756262) has the molecular formula C14H9F2NS and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole
PubChem CID174756262
Molecular FormulaC14H9F2NS
Molecular Weight261.30 g/mol
Exact Mass261.04
IUPAC Name2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole
SMILESCc1cccc2sc(-c3cccc(F)c3F)nc12
InChIInChI=1S/C14H9F2NS/c1-8-4-2-7-11-13(8)17-14(18-11)9-5-3-6-10(15)12(9)16/h2-7H,1H3
InChIKeyLCEFCLJJVGTMLW-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole (CID 174756262) is 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole is Cc1cccc2sc(-c3cccc(F)c3F)nc12.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole?
The InChIKey is LCEFCLJJVGTMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NS/c1-8-4-2-7-11-13(8)17-14(18-11)9-5-3-6-10(15)12(9)16/h2-7H,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole?
2-(2,3-difluorophenyl)-4-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-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 174756262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).