2-(difluoromethyl)-1,3-benzothiazol-6-amine

C8H6F2N2S — CID 66201315

IUPAC2-(difluoromethyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(C(F)F)sc2c1
InChIInChI=1S/C8H6F2N2S/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2
InChIKeyFOFMNMOYBHDIDQ-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.82
Rot. Bonds1

About 2-(difluoromethyl)-1,3-benzothiazol-6-amine

2-(difluoromethyl)-1,3-benzothiazol-6-amine (PubChem CID 66201315) has the molecular formula C8H6F2N2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-benzothiazol-6-amine
PubChem CID66201315
Molecular FormulaC8H6F2N2S
Molecular Weight200.21 g/mol
Exact Mass200.02
IUPAC Name2-(difluoromethyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(C(F)F)sc2c1
InChIInChI=1S/C8H6F2N2S/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2
InChIKeyFOFMNMOYBHDIDQ-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(difluoromethyl)-1,3-benzothiazol-6-amine (CID 66201315) is 2-(difluoromethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(difluoromethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(difluoromethyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(C(F)F)sc2c1.
What is the InChIKey of 2-(difluoromethyl)-1,3-benzothiazol-6-amine?
The InChIKey is FOFMNMOYBHDIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2.
What are the key properties of 2-(difluoromethyl)-1,3-benzothiazol-6-amine?
2-(difluoromethyl)-1,3-benzothiazol-6-amine has a molecular weight of 200.21 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66201315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).