2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C13H12N2O2S — CID 103348286

IUPAC2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1cccc(-c2nc3c(s2)C(=O)CCC3)n1
InChIInChI=1S/C13H12N2O2S/c1-17-11-7-3-5-9(14-11)13-15-8-4-2-6-10(16)12(8)18-13/h3,5,7H,2,4,6H2,1H3
InChIKeyPCILIJITNDFFDF-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.73
Rot. Bonds2

About 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 103348286) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID103348286
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1cccc(-c2nc3c(s2)C(=O)CCC3)n1
InChIInChI=1S/C13H12N2O2S/c1-17-11-7-3-5-9(14-11)13-15-8-4-2-6-10(16)12(8)18-13/h3,5,7H,2,4,6H2,1H3
InChIKeyPCILIJITNDFFDF-UHFFFAOYSA-N
XLogP2.73
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrimidin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 63986631
2-(4-tert-butylphenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078591
2-(5-bromothiophen-2-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62079136
2-(2-chloro-6-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62501584
2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 166222120
2-(2-phenylpropan-2-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55182286
2-(1-methoxycyclobutyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 116727489
2-(2-bromo-5-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 107923868
2-[furan-2-ylmethyl(methyl)amino]-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62757978
2-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 141143516
2-ethyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62079122
2-cyclopentyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62078762

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 103348286) is 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is COc1cccc(-c2nc3c(s2)C(=O)CCC3)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is PCILIJITNDFFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-17-11-7-3-5-9(14-11)13-15-8-4-2-6-10(16)12(8)18-13/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 260.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 103348286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).