2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine

C13H5F5N2S — CID 66201699

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3c(F)c(F)c(F)c(F)c3F)sc2c1
InChIInChI=1S/C13H5F5N2S/c14-8-7(9(15)11(17)12(18)10(8)16)13-20-5-2-1-4(19)3-6(5)21-13/h1-3H,19H2
InChIKeyUFWRLMDHAMFJSA-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.24
Rot. Bonds1

About 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine

2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine (PubChem CID 66201699) has the molecular formula C13H5F5N2S and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
PubChem CID66201699
Molecular FormulaC13H5F5N2S
Molecular Weight316.25 g/mol
Exact Mass316.01
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(-c3c(F)c(F)c(F)c(F)c3F)sc2c1
InChIInChI=1S/C13H5F5N2S/c14-8-7(9(15)11(17)12(18)10(8)16)13-20-5-2-1-4(19)3-6(5)21-13/h1-3H,19H2
InChIKeyUFWRLMDHAMFJSA-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4,6-trifluorophenyl)-1,3-benzothiazol-6-amine
CID 66202280
6-bromo-2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazole
CID 91678559
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-[3-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 3147179
2-(3-bromo-4-fluorophenyl)-1,3-benzothiazol-6-amine
CID 107954879
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201320
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
4-(6-bromo-1,3-benzothiazol-2-yl)-3-fluoroaniline
CID 107795255
2-(3-methylimidazol-4-yl)-1,3-benzothiazol-6-amine
CID 103512391
2-(5-bromo-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 66201515

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine (CID 66201699) is 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine is Nc1ccc2nc(-c3c(F)c(F)c(F)c(F)c3F)sc2c1.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine?
The InChIKey is UFWRLMDHAMFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F5N2S/c14-8-7(9(15)11(17)12(18)10(8)16)13-20-5-2-1-4(19)3-6(5)21-13/h1-3H,19H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine?
2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine has a molecular weight of 316.25 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66201699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).