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

C19H9Cl2F3N2S — CID 155565143

IUPAC6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc(Cl)c(-c2ncccc2-c2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C19H9Cl2F3N2S/c20-11-4-6-15-16(9-11)27-18(26-15)12-2-1-7-25-17(12)13-8-10(19(22,23)24)3-5-14(13)21/h1-9H
InChIKeyYSPFFMKLVDLKQZ-UHFFFAOYSA-N
MW425.26 g/mol
LogP7.35
Rot. Bonds2

About 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole

6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 155565143) has the molecular formula C19H9Cl2F3N2S and a molecular weight of 425.26 g/mol. Its IUPAC name is 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
PubChem CID155565143
Molecular FormulaC19H9Cl2F3N2S
Molecular Weight425.26 g/mol
Exact Mass423.98
IUPAC Name6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc(Cl)c(-c2ncccc2-c2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C19H9Cl2F3N2S/c20-11-4-6-15-16(9-11)27-18(26-15)12-2-1-7-25-17(12)13-8-10(19(22,23)24)3-5-14(13)21/h1-9H
InChIKeyYSPFFMKLVDLKQZ-UHFFFAOYSA-N
XLogP7.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.26
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (CID 155565143) is 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is FC(F)(F)c1ccc(Cl)c(-c2ncccc2-c2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is YSPFFMKLVDLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl2F3N2S/c20-11-4-6-15-16(9-11)27-18(26-15)12-2-1-7-25-17(12)13-8-10(19(22,23)24)3-5-14(13)21/h1-9H.
What are the key properties of 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole has a molecular weight of 425.26 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 155565143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).