5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

C16H15F3N4OS — CID 173176261

IUPAC5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc(C(F)(F)F)ccc1-c1ccc2sc(N)nc2c1
InChIInChI=1S/C16H15F3N4OS/c1-24-7-6-21-14-10(3-5-13(23-14)16(17,18)19)9-2-4-12-11(8-9)22-15(20)25-12/h2-5,8H,6-7H2,1H3,(H2,20,22)(H,21,23)
InChIKeyUWVGARREAAYYBH-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.02
Rot. Bonds5

About 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine

5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (PubChem CID 173176261) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
PubChem CID173176261
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC Name5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
SMILESCOCCNc1nc(C(F)(F)F)ccc1-c1ccc2sc(N)nc2c1
InChIInChI=1S/C16H15F3N4OS/c1-24-7-6-21-14-10(3-5-13(23-14)16(17,18)19)9-2-4-12-11(8-9)22-15(20)25-12/h2-5,8H,6-7H2,1H3,(H2,20,22)(H,21,23)
InChIKeyUWVGARREAAYYBH-UHFFFAOYSA-N
XLogP4.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-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 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine (CID 173176261) is 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is COCCNc1nc(C(F)(F)F)ccc1-c1ccc2sc(N)nc2c1.
What is the InChIKey of 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
The InChIKey is UWVGARREAAYYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-24-7-6-21-14-10(3-5-13(23-14)16(17,18)19)9-2-4-12-11(8-9)22-15(20)25-12/h2-5,8H,6-7H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine?
5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine has a molecular weight of 368.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 173176261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).