4-(difluoromethyl)-1,2-benzothiazole

C8H5F2NS — CID 121231915

IUPAC4-(difluoromethyl)-1,2-benzothiazole
SMILESFC(F)c1cccc2sncc12
InChIInChI=1S/C8H5F2NS/c9-8(10)5-2-1-3-7-6(5)4-11-12-7/h1-4,8H
InChIKeyDEQBXNOQNXOPLR-UHFFFAOYSA-N
MW185.20 g/mol
LogP3.23
Rot. Bonds1

About 4-(difluoromethyl)-1,2-benzothiazole

4-(difluoromethyl)-1,2-benzothiazole (PubChem CID 121231915) has the molecular formula C8H5F2NS and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,2-benzothiazole.

Molecular Properties

Compound Name4-(difluoromethyl)-1,2-benzothiazole
PubChem CID121231915
Molecular FormulaC8H5F2NS
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name4-(difluoromethyl)-1,2-benzothiazole
SMILESFC(F)c1cccc2sncc12
InChIInChI=1S/C8H5F2NS/c9-8(10)5-2-1-3-7-6(5)4-11-12-7/h1-4,8H
InChIKeyDEQBXNOQNXOPLR-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

Analyze 4-(difluoromethyl)-1,2-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,2-benzothiazole?
The IUPAC name of 4-(difluoromethyl)-1,2-benzothiazole (CID 121231915) is 4-(difluoromethyl)-1,2-benzothiazole.
What is the SMILES notation for 4-(difluoromethyl)-1,2-benzothiazole?
The canonical SMILES for 4-(difluoromethyl)-1,2-benzothiazole is FC(F)c1cccc2sncc12.
What is the InChIKey of 4-(difluoromethyl)-1,2-benzothiazole?
The InChIKey is DEQBXNOQNXOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NS/c9-8(10)5-2-1-3-7-6(5)4-11-12-7/h1-4,8H.
What are the key properties of 4-(difluoromethyl)-1,2-benzothiazole?
4-(difluoromethyl)-1,2-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 4-(difluoromethyl)-1,2-benzothiazole is sourced from PubChem (CID 121231915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).