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

C12H10N2S — CID 5251875

IUPAC2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole
SMILESC1=CNC(c2nc3ccccc3s2)C=C1
InChIInChI=1S/C12H10N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8,10,13H
InChIKeyXHZGDCIEFIQOET-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.01
Rot. Bonds1

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

2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole (PubChem CID 5251875) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole
PubChem CID5251875
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole
SMILESC1=CNC(c2nc3ccccc3s2)C=C1
InChIInChI=1S/C12H10N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8,10,13H
InChIKeyXHZGDCIEFIQOET-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
CID 129361833
2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-benzothiazole
CID 15442374
3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 116999894
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
2-(2,5-dimethylcyclohex-3-en-1-yl)-1,3-benzothiazole
CID 118351557
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
(3R)-3-(1,3-benzothiazol-2-yl)morpholine
CID 96788923
4-(1,3-benzothiazol-2-yl)-5-sulfanylidenepyrrolidin-2-one
CID 88599496
3-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551576
6-(1,3-benzothiazol-2-yl)morpholin-2-amine
CID 175499040

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole (CID 5251875) is 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole is C1=CNC(c2nc3ccccc3s2)C=C1.
What is the InChIKey of 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole?
The InChIKey is XHZGDCIEFIQOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-8,10,13H.
What are the key properties of 2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole?
2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole has a molecular weight of 214.29 g/mol, XLogP of 3.01, 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-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 5251875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).