2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole

C18H14N2S — CID 3006729

IUPAC2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole
SMILESc1ccc(C2(c3ccccn3)Nc3ccccc3S2)cc1
InChIInChI=1S/C18H14N2S/c1-2-8-14(9-3-1)18(17-12-6-7-13-19-17)20-15-10-4-5-11-16(15)21-18/h1-13,20H
InChIKeyBZIQGCBJBPCMJM-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.50
Rot. Bonds2

About 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole

2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole (PubChem CID 3006729) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole.

Molecular Properties

Compound Name2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole
PubChem CID3006729
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole
SMILESc1ccc(C2(c3ccccn3)Nc3ccccc3S2)cc1
InChIInChI=1S/C18H14N2S/c1-2-8-14(9-3-1)18(17-12-6-7-13-19-17)20-15-10-4-5-11-16(15)21-18/h1-13,20H
InChIKeyBZIQGCBJBPCMJM-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The IUPAC name of 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole (CID 3006729) is 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole.
What is the SMILES notation for 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The canonical SMILES for 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole is c1ccc(C2(c3ccccn3)Nc3ccccc3S2)cc1.
What is the InChIKey of 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
The InChIKey is BZIQGCBJBPCMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-2-8-14(9-3-1)18(17-12-6-7-13-19-17)20-15-10-4-5-11-16(15)21-18/h1-13,20H.
What are the key properties of 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole?
2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole has a molecular weight of 290.39 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyridin-2-yl-3H-1,3-benzothiazole is sourced from PubChem (CID 3006729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).