2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole

C19H10ClF3N2S — CID 155543809

IUPAC2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc(Cl)c(-c2ncccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H10ClF3N2S/c20-14-8-7-11(19(21,22)23)10-13(14)17-12(4-3-9-24-17)18-25-15-5-1-2-6-16(15)26-18/h1-10H
InChIKeyIADCQYOEPFTRDE-UHFFFAOYSA-N
MW390.82 g/mol
LogP6.70
Rot. Bonds2

About 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole

2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 155543809) has the molecular formula C19H10ClF3N2S and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
PubChem CID155543809
Molecular FormulaC19H10ClF3N2S
Molecular Weight390.82 g/mol
Exact Mass390.02
IUPAC Name2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc(Cl)c(-c2ncccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C19H10ClF3N2S/c20-14-8-7-11(19(21,22)23)10-13(14)17-12(4-3-9-24-17)18-25-15-5-1-2-6-16(15)26-18/h1-10H
InChIKeyIADCQYOEPFTRDE-UHFFFAOYSA-N
XLogP6.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.82
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (CID 155543809) is 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is FC(F)(F)c1ccc(Cl)c(-c2ncccc2-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is IADCQYOEPFTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2S/c20-14-8-7-11(19(21,22)23)10-13(14)17-12(4-3-9-24-17)18-25-15-5-1-2-6-16(15)26-18/h1-10H.
What are the key properties of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 390.82 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 155543809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).