6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile

C8H5N3OS — CID 82403526

IUPAC6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1nc2sncc2cc1C#N
InChIInChI=1S/C8H5N3OS/c1-12-7-5(3-9)2-6-4-10-13-8(6)11-7/h2,4H,1H3
InChIKeyXASBFQYVJBEGLG-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.57
Rot. Bonds1

About 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile

6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 82403526) has the molecular formula C8H5N3OS and a molecular weight of 191.21 g/mol. Its IUPAC name is 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID82403526
Molecular FormulaC8H5N3OS
Molecular Weight191.21 g/mol
Exact Mass191.02
IUPAC Name6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1nc2sncc2cc1C#N
InChIInChI=1S/C8H5N3OS/c1-12-7-5(3-9)2-6-4-10-13-8(6)11-7/h2,4H,1H3
InChIKeyXASBFQYVJBEGLG-UHFFFAOYSA-N
XLogP1.57
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
6-methoxyfuro[2,3-b]pyridine-5-carbonitrile
CID 82411525
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
7-methyl-1,2-benzothiazole-6-carbonitrile
CID 130064190
(6-cyano-5-methoxythieno[3,2-b]pyridin-3-yl)boronic acid
CID 142471121
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile
CID 131985771
2-methoxy-5-propylpyridine-3-carbonitrile
CID 146366204
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
2-(4-methoxyphenoxy)-7-methylquinoline-3-carbonitrile
CID 855525
2-methoxy-8-phenylmethoxyquinoline-3-carbonitrile
CID 126622166

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile (CID 82403526) is 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile is COc1nc2sncc2cc1C#N.
What is the InChIKey of 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is XASBFQYVJBEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3OS/c1-12-7-5(3-9)2-6-4-10-13-8(6)11-7/h2,4H,1H3.
What are the key properties of 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile?
6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 191.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 82403526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).