2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one

C12H10N2OS — CID 82288857

IUPAC2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESO=C1CCc2nc(-c3ccncc3)sc2C1
InChIInChI=1S/C12H10N2OS/c15-9-1-2-10-11(7-9)16-12(14-10)8-3-5-13-6-4-8/h3-6H,1-2,7H2
InChIKeyVJCBVVNCTALWHY-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.26
Rot. Bonds1

About 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one

2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one (PubChem CID 82288857) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one.

Molecular Properties

Compound Name2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one
PubChem CID82288857
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one
SMILESO=C1CCc2nc(-c3ccncc3)sc2C1
InChIInChI=1S/C12H10N2OS/c15-9-1-2-10-11(7-9)16-12(14-10)8-3-5-13-6-4-8/h3-6H,1-2,7H2
InChIKeyVJCBVVNCTALWHY-UHFFFAOYSA-N
XLogP2.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 95474560
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 14531647
2-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazol-6-one
CID 82301119
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82132812
ethyl 2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68644063
N-(4-cyanophenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203517
N-(2-phenylethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203428
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203403
(2-ethylpiperidin-1-yl)-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203448
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203522
N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138380021
N-(1,3-benzodioxol-5-yl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203510

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The IUPAC name of 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one (CID 82288857) is 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one.
What is the SMILES notation for 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The canonical SMILES for 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one is O=C1CCc2nc(-c3ccncc3)sc2C1.
What is the InChIKey of 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one?
The InChIKey is VJCBVVNCTALWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-9-1-2-10-11(7-9)16-12(14-10)8-3-5-13-6-4-8/h3-6H,1-2,7H2.
What are the key properties of 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one?
2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one has a molecular weight of 230.29 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5,7-dihydro-4H-1,3-benzothiazol-6-one is sourced from PubChem (CID 82288857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).