5-(difluoromethyl)-1,3-benzothiazole

C8H5F2NS — CID 84660003

IUPAC5-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)c1ccc2scnc2c1
InChIInChI=1S/C8H5F2NS/c9-8(10)5-1-2-7-6(3-5)11-4-12-7/h1-4,8H
InChIKeyOGLPCHWFNHQKCB-UHFFFAOYSA-N
MW185.20 g/mol
LogP3.23
Rot. Bonds1

About 5-(difluoromethyl)-1,3-benzothiazole

5-(difluoromethyl)-1,3-benzothiazole (PubChem CID 84660003) has the molecular formula C8H5F2NS and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1,3-benzothiazole
PubChem CID84660003
Molecular FormulaC8H5F2NS
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name5-(difluoromethyl)-1,3-benzothiazole
SMILESFC(F)c1ccc2scnc2c1
InChIInChI=1S/C8H5F2NS/c9-8(10)5-1-2-7-6(3-5)11-4-12-7/h1-4,8H
InChIKeyOGLPCHWFNHQKCB-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,3-benzothiazole?
The IUPAC name of 5-(difluoromethyl)-1,3-benzothiazole (CID 84660003) is 5-(difluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-(difluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 5-(difluoromethyl)-1,3-benzothiazole is FC(F)c1ccc2scnc2c1.
What is the InChIKey of 5-(difluoromethyl)-1,3-benzothiazole?
The InChIKey is OGLPCHWFNHQKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NS/c9-8(10)5-1-2-7-6(3-5)11-4-12-7/h1-4,8H.
What are the key properties of 5-(difluoromethyl)-1,3-benzothiazole?
5-(difluoromethyl)-1,3-benzothiazole has a molecular weight of 185.20 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 84660003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).