4,6-difluoro-1,3-benzothiazol-2-amine

C7H4F2N2S — CID 737406

IUPAC4,6-difluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKeyDDKKXSCVPKDRRS-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.16
Rot. Bonds

About 4,6-difluoro-1,3-benzothiazol-2-amine

4,6-difluoro-1,3-benzothiazol-2-amine (PubChem CID 737406) has the molecular formula C7H4F2N2S and a molecular weight of 186.19 g/mol. Its IUPAC name is 4,6-difluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1,3-benzothiazol-2-amine
PubChem CID737406
Molecular FormulaC7H4F2N2S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name4,6-difluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKeyDDKKXSCVPKDRRS-UHFFFAOYSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-difluoro-1,3-benzothiazol-2-amine 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 4,6-difluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-difluoro-1,3-benzothiazol-2-amine (CID 737406) is 4,6-difluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-difluoro-1,3-benzothiazol-2-amine is Nc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of 4,6-difluoro-1,3-benzothiazol-2-amine?
The InChIKey is DDKKXSCVPKDRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11).
What are the key properties of 4,6-difluoro-1,3-benzothiazol-2-amine?
4,6-difluoro-1,3-benzothiazol-2-amine has a molecular weight of 186.19 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 737406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).