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

C20H13F3N2OS — CID 155543276

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 Name6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
PubChem CID155543276
Molecular FormulaC20H13F3N2OS
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name6-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
XLogP6.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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).