2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole

C12H10N2S — CID 143761672

IUPAC2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole
SMILESC1=CC(c2nc3ccccc3s2)=CNC1
InChIInChI=1S/C12H10N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-6,8,13H,7H2
InChIKeyVFYFIUUDCJTKJA-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.80
Rot. Bonds1

About 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole

2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole (PubChem CID 143761672) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole
PubChem CID143761672
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole
SMILESC1=CC(c2nc3ccccc3s2)=CNC1
InChIInChI=1S/C12H10N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-6,8,13H,7H2
InChIKeyVFYFIUUDCJTKJA-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole (CID 143761672) is 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole is C1=CC(c2nc3ccccc3s2)=CNC1.
What is the InChIKey of 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole?
The InChIKey is VFYFIUUDCJTKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-6,8,13H,7H2.
What are the key properties of 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole?
2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole has a molecular weight of 214.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 143761672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).