2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole

C14H10N2S — CID 6212428

IUPAC2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole
SMILESC(=C/c1nc2ccccc2s1)\c1ccccn1
InChIInChI=1S/C14H10N2S/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-10H/b9-8+
InChIKeyGLNZQCGXBWIFHS-CMDGGOBGSA-N
MW238.32 g/mol
LogP3.86
Rot. Bonds2

About 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole

2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole (PubChem CID 6212428) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole
PubChem CID6212428
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole
SMILESC(=C/c1nc2ccccc2s1)\c1ccccn1
InChIInChI=1S/C14H10N2S/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-10H/b9-8+
InChIKeyGLNZQCGXBWIFHS-CMDGGOBGSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole (CID 6212428) is 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole is C(=C/c1nc2ccccc2s1)\c1ccccn1.
What is the InChIKey of 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole?
The InChIKey is GLNZQCGXBWIFHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-7-13-12(6-1)16-14(17-13)9-8-11-5-3-4-10-15-11/h1-10H/b9-8+.
What are the key properties of 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole?
2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole has a molecular weight of 238.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-2-ylethenyl]-1,3-benzothiazole is sourced from PubChem (CID 6212428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).