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

C19H10ClF3N2S — CID 155550836

IUPAC6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C19H10ClF3N2S/c20-13-7-8-15-16(10-13)26-18(25-15)14-2-1-9-24-17(14)11-3-5-12(6-4-11)19(21,22)23/h1-10H
InChIKeyJUBQBJMQGMPDTL-UHFFFAOYSA-N
MW390.82 g/mol
LogP6.70
Rot. Bonds2

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

6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (PubChem CID 155550836) has the molecular formula C19H10ClF3N2S and a molecular weight of 390.82 g/mol. Its IUPAC name is 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
PubChem CID155550836
Molecular FormulaC19H10ClF3N2S
Molecular Weight390.82 g/mol
Exact Mass390.02
IUPAC Name6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole
SMILESFC(F)(F)c1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C19H10ClF3N2S/c20-13-7-8-15-16(10-13)26-18(25-15)14-2-1-9-24-17(14)11-3-5-12(6-4-11)19(21,22)23/h1-10H
InChIKeyJUBQBJMQGMPDTL-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 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole (CID 155550836) is 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is FC(F)(F)c1ccc(-c2ncccc2-c2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
The InChIKey is JUBQBJMQGMPDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2S/c20-13-7-8-15-16(10-13)26-18(25-15)14-2-1-9-24-17(14)11-3-5-12(6-4-11)19(21,22)23/h1-10H.
What are the key properties of 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole?
6-chloro-2-[2-[4-(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 6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole is sourced from PubChem (CID 155550836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).