6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole

Name: 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₁₃F₃N₂OS — CID 155543276

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole

SMILESCOc1ccc2nc(-c3cccnc3-c3ccc(C(F)(F)F)cc3)sc2c1

InChIInChI=1S/C20H13F3N2OS/c1-26-14-8-9-16-17(11-14)27-19(25-16)15-3-2-10-24-18(15)12-4-6-13(7-5-12)20(21,22)23/h2-11H,1H3

InChIKeySNGCBCBPIYIMNH-UHFFFAOYSA-N

MW386.40 g/mol

LogP6.05

Rot. Bonds3

About 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole

6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 155543276) has the molecular formula C₂₀H₁₃F₃N₂OS and a molecular weight of 386.40 g/mol. Its IUPAC name is 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name	6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
PubChem CID	155543276
Molecular Formula	C₂₀H₁₃F₃N₂OS
Molecular Weight	386.40 g/mol
Exact Mass	386.07
IUPAC Name	6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILES	COc1ccc2nc(-c3cccnc3-c3ccc(C(F)(F)F)cc3)sc2c1
InChI	InChI=1S/C20H13F3N2OS/c1-26-14-8-9-16-17(11-14)27-19(25-16)15-3-2-10-24-18(15)12-4-6-13(7-5-12)20(21,22)23/h2-11H,1H3
InChIKey	SNGCBCBPIYIMNH-UHFFFAOYSA-N
XLogP	6.05
TPSA	35.01 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.40
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?

The IUPAC name of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (CID 155543276) is 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.

What is the SMILES notation for 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?

The canonical SMILES for 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is COc1ccc2nc(-c3cccnc3-c3ccc(C(F)(F)F)cc3)sc2c1.

What is the InChIKey of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?

The InChIKey is SNGCBCBPIYIMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2OS/c1-26-14-8-9-16-17(11-14)27-19(25-16)15-3-2-10-24-18(15)12-4-6-13(7-5-12)20(21,22)23/h2-11H,1H3.

What are the key properties of 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?

6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 386.40 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 155543276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155543276 — identifiers, structure, computed properties (public domain)

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