5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole

C14H12N2O2S — CID 67094273

IUPAC5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
SMILESCOc1cc2nc(-c3ccncc3)sc2cc1OC
InChIInChI=1S/C14H12N2O2S/c1-17-11-7-10-13(8-12(11)18-2)19-14(16-10)9-3-5-15-6-4-9/h3-8H,1-2H3
InChIKeyOCSUWLZEZHOJGP-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.38
Rot. Bonds3

About 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole

5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole (PubChem CID 67094273) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
PubChem CID67094273
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
SMILESCOc1cc2nc(-c3ccncc3)sc2cc1OC
InChIInChI=1S/C14H12N2O2S/c1-17-11-7-10-13(8-12(11)18-2)19-14(16-10)9-3-5-15-6-4-9/h3-8H,1-2H3
InChIKeyOCSUWLZEZHOJGP-UHFFFAOYSA-N
XLogP3.38
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
6-methoxy-2-phenyl-1,3-benzothiazole-5-carboxylic acid
CID 67851580
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
CID 82190090
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 17325445
2-pyridin-4-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 13171497
2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314021
ethyl 2-pyridin-4-yl-1,3-benzothiazole-6-carboxylate
CID 95909727
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 141261492

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole?
The IUPAC name of 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole (CID 67094273) is 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole?
The canonical SMILES for 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole is COc1cc2nc(-c3ccncc3)sc2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole?
The InChIKey is OCSUWLZEZHOJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-17-11-7-10-13(8-12(11)18-2)19-14(16-10)9-3-5-15-6-4-9/h3-8H,1-2H3.
What are the key properties of 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole?
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole has a molecular weight of 272.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 67094273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).