2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole

C15H12FNS — CID 175289709

IUPAC2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3cccc(F)c3)nc2c1C
InChIInChI=1S/C15H12FNS/c1-9-6-7-13-14(10(9)2)17-15(18-13)11-4-3-5-12(16)8-11/h3-8H,1-2H3
InChIKeyGKPURLZKKZFSJL-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.72
Rot. Bonds1

About 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole

2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole (PubChem CID 175289709) has the molecular formula C15H12FNS and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
PubChem CID175289709
Molecular FormulaC15H12FNS
Molecular Weight257.33 g/mol
Exact Mass257.07
IUPAC Name2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3cccc(F)c3)nc2c1C
InChIInChI=1S/C15H12FNS/c1-9-6-7-13-14(10(9)2)17-15(18-13)11-4-3-5-12(16)8-11/h3-8H,1-2H3
InChIKeyGKPURLZKKZFSJL-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole (CID 175289709) is 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole is Cc1ccc2sc(-c3cccc(F)c3)nc2c1C.
What is the InChIKey of 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole?
The InChIKey is GKPURLZKKZFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNS/c1-9-6-7-13-14(10(9)2)17-15(18-13)11-4-3-5-12(16)8-11/h3-8H,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole?
2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole has a molecular weight of 257.33 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 175289709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).