N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline

C₁₀₇H₁₀₁F₂₁N₁₆O₆S₅ — CID 158005238

About N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline

N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline (PubChem CID 158005238) has the molecular formula C₁₀₇H₁₀₁F₂₁N₁₆O₆S₅ and a molecular weight of 2266.38 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline
• PubChem CID: 158005238
• Molecular Formula: C₁₀₇H₁₀₁F₂₁N₁₆O₆S₅
• Molecular Weight: 2266.38 g/mol
• Exact Mass: 2264.64
• IUPAC Name: N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline
• SMILES: CCC(Nc1ccc(C(F)(F)F)cc1)Oc1ccccn1.CCC(Nc1ccc(C(F)(F)F)cc1)Oc1cnccn1.CCC(Nc1ccc(C(F)(F)F)cc1)Oc1nc2ccccc2o1.CCC(Nc1ccc(C(F)(F)F)cc1)Oc1nc2ccccc2s1.CCC(Nc1ccc(C(F)(F)F)cc1)Sc1nc2ccccc2o1.CCC(Nc1ccc(C(F)(F)F)cc1)Sc1ncccn1.CCC(Nc1ccc(C(F)(F)F)cc1)Sc1nccs1
• InChI: InChI=1S/C17H15F3N2O2.2C17H15F3N2OS.C15H15F3N2O.C14H14F3N3O.C14H14F3N3S.C13H13F3N2S2/c1-2-15(21-12-9-7-11(8-10-12)17(18,19)20)24-16-22-13-5-3-4-6-14(13)23-16;1-2-15(21-12-9-7-11(8-10-12)17(18,19)20)23-16-22-13-5-3-4-6-14(13)24-16;1-2-15(21-12-9-7-11(8-10-12)17(18,19)20)24-16-22-13-5-3-4-6-14(13)23-16;1-2-13(21-14-5-3-4-10-19-14)20-12-8-6-11(7-9-12)15(16,17)18;1-2-12(21-13-9-18-7-8-19-13)20-11-5-3-10(4-6-11)14(15,16)17;1-2-12(21-13-18-8-3-9-19-13)20-11-6-4-10(5-7-11)14(15,16)17;1-2-11(20-12-17-7-8-19-12)18-10-5-3-9(4-6-10)13(14,15)16/h3*3-10,15,21H,2H2,1H3;3-10,13,20H,2H2,1H3;2*3-9,12,20H,2H2,1H3;3-8,11,18H,2H2,1H3
• InChIKey: FEFFFWLCTMOFDY-UHFFFAOYSA-N
• XLogP: 33.99
• TPSA: 263.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.38
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline?

The IUPAC name of N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline (CID 158005238) is N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline.

What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline?

The canonical SMILES for N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline is CCC(Nc1ccc(C(F)(F)F)cc1)Oc1ccccn1.CCC(Nc1ccc(C(F)(F)F)cc1)Oc1cnccn1.CCC(Nc1ccc(C(F)(F)F)cc1)Oc1nc2ccccc2o1.CCC(Nc1ccc(C(F)(F)F)cc1)Oc1nc2ccccc2s1.CCC(Nc1ccc(C(F)(F)F)cc1)Sc1nc2ccccc2o1.CCC(Nc1ccc(C(F)(F)F)cc1)Sc1ncccn1.CCC(Nc1ccc(C(F)(F)F)cc1)Sc1nccs1.

What is the InChIKey of N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline?

The InChIKey is FEFFFWLCTMOFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2.2C17H15F3N2OS.C15H15F3N2O.C14H14F3N3O.C14H14F3N3S.C13H13F3N2S2/c1-2-15(21-12-9-7-11(8-10-12)17(18,19)20)24-16-22-13-5-3-4-6-14(13)23-16;1-2-15(21-12-9-7-11(8-10-12)17(18,19)20)23-16-22-13-5-3-4-6-14(13)24-16;1-2-15(21-12-9-7-11(8-10-12)17(18,19)20)24-16-22-13-5-3-4-6-14(13)23-16;1-2-13(21-14-5-3-4-10-19-14)20-12-8-6-11(7-9-12)15(16,17)18;1-2-12(21-13-9-18-7-8-19-13)20-11-5-3-10(4-6-11)14(15,16)17;1-2-12(21-13-18-8-3-9-19-13)20-11-6-4-10(5-7-11)14(15,16)17;1-2-11(20-12-17-7-8-19-12)18-10-5-3-9(4-6-10)13(14,15)16/h3*3-10,15,21H,2H2,1H3;3-10,13,20H,2H2,1H3;2*3-9,12,20H,2H2,1H3;3-8,11,18H,2H2,1H3.

What are the key properties of N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline?

N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline has a molecular weight of 2266.38 g/mol, XLogP of 33.99, 35 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-benzothiazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-yloxy)propyl]-4-(trifluoromethyl)aniline;N-[1-(1,3-benzoxazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline;N-(1-pyrazin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyridin-2-yloxypropyl)-4-(trifluoromethyl)aniline;N-(1-pyrimidin-2-ylsulfanylpropyl)-4-(trifluoromethyl)aniline;N-[1-(1,3-thiazol-2-ylsulfanyl)propyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 158005238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158005238 — identifiers, structure, computed properties (public domain)

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