ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine

C16H15F3N2S — CID 144945336

IUPACethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
SMILESCC.Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C14H9F3N2S.C2H6/c15-14(16,17)9-3-1-8(2-4-9)13-19-11-6-5-10(18)7-12(11)20-13;1-2/h1-7H,18H2;1-2H3
InChIKeyWZZCPSFZJBNYKE-UHFFFAOYSA-N
MW324.37 g/mol
LogP5.59
Rot. Bonds1

About ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine

ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine (PubChem CID 144945336) has the molecular formula C16H15F3N2S and a molecular weight of 324.37 g/mol. Its IUPAC name is ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Nameethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
PubChem CID144945336
Molecular FormulaC16H15F3N2S
Molecular Weight324.37 g/mol
Exact Mass324.09
IUPAC Nameethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
SMILESCC.Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C14H9F3N2S.C2H6/c15-14(16,17)9-3-1-8(2-4-9)13-19-11-6-5-10(18)7-12(11)20-13;1-2/h1-7H,18H2;1-2H3
InChIKeyWZZCPSFZJBNYKE-UHFFFAOYSA-N
XLogP5.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.37
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-[4-(trifluoromethyl)phenyl]-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

6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-(4-chlorophenyl)-1,3-benzothiazol-6-amine
CID 4130152
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850249
2-(4-methylsulfonylphenyl)-1,3-benzothiazol-6-amine
CID 66203444
2-(3-bromo-5-methylphenyl)-1,3-benzothiazol-6-amine
CID 113461111
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-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazol-6-amine
CID 66201699
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247351
2-(1-methylpyrazol-4-yl)-1,3-benzothiazol-6-amine
CID 66201319

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine?
The IUPAC name of ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine (CID 144945336) is ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine is CC.Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1.
What is the InChIKey of ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine?
The InChIKey is WZZCPSFZJBNYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S.C2H6/c15-14(16,17)9-3-1-8(2-4-9)13-19-11-6-5-10(18)7-12(11)20-13;1-2/h1-7H,18H2;1-2H3.
What are the key properties of ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine?
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine has a molecular weight of 324.37 g/mol, XLogP of 5.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 144945336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).