1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one

C19H14N2O2S — CID 139801837

IUPAC1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C19H14N2O2S/c22-19-7-3-4-12-21(19)14-8-10-15(11-9-14)23-13-18-20-16-5-1-2-6-17(16)24-18/h1-12H,13H2
InChIKeyNTTKKTBWBKDRQF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.03
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one

1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one (PubChem CID 139801837) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one
PubChem CID139801837
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one
SMILESO=c1ccccn1-c1ccc(OCc2nc3ccccc3s2)cc1
InChIInChI=1S/C19H14N2O2S/c22-19-7-3-4-12-21(19)14-8-10-15(11-9-14)23-13-18-20-16-5-1-2-6-17(16)24-18/h1-12H,13H2
InChIKeyNTTKKTBWBKDRQF-UHFFFAOYSA-N
XLogP4.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 139801721
2-[[4-(3,5-diphenylpyrazol-1-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801756
5-(1,3-benzothiazol-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 104986102
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
CID 2705029
2-[[4-(1,3-thiazol-4-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801893
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
5-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14301815
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
CID 113218110
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
CID 139801734

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one (CID 139801837) is 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one is O=c1ccccn1-c1ccc(OCc2nc3ccccc3s2)cc1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one?
The InChIKey is NTTKKTBWBKDRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-19-7-3-4-12-21(19)14-8-10-15(11-9-14)23-13-18-20-16-5-1-2-6-17(16)24-18/h1-12H,13H2.
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one?
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one has a molecular weight of 334.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 139801837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).