7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

C9H7N3S — CID 58612187

IUPAC7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESCCc1c(C#N)cnc2ncsc12
InChIInChI=1S/C9H7N3S/c1-2-7-6(3-10)4-11-9-8(7)13-5-12-9/h4-5H,2H2,1H3
InChIKeyWXIVKEIEQNOAAO-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.13
Rot. Bonds1

About 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 58612187) has the molecular formula C9H7N3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
PubChem CID58612187
Molecular FormulaC9H7N3S
Molecular Weight189.24 g/mol
Exact Mass189.04
IUPAC Name7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESCCc1c(C#N)cnc2ncsc12
InChIInChI=1S/C9H7N3S/c1-2-7-6(3-10)4-11-9-8(7)13-5-12-9/h4-5H,2H2,1H3
InChIKeyWXIVKEIEQNOAAO-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-ethylpyridine-3,5-dicarbonitrile
CID 151362534
7-ethyl-2-methylsulfinyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;7-ethyl-2-propyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile;propane
CID 157271267
7-ethyl-1-benzothiophene-6-carbonitrile
CID 130064616
7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile
CID 89326777
4-bromo-1,3-benzothiazole-7-carbonitrile
CID 131417746
1,3-benzothiazole-7-carbonitrile
CID 69455274
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
6-ethyl-1-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;propane
CID 176702943
2-(7-hydroxy-1,3-benzothiazol-6-yl)benzonitrile
CID 175011567
2-(4-aminopiperidin-1-yl)-4-ethylpyridine-3,5-dicarbonitrile
CID 150377558
5-bromo-1,3-benzothiazole-7-carbonitrile
CID 131449522
5-bromo-4-ethyl-1-benzothiophene-3-carbonitrile
CID 130788679

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (CID 58612187) is 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is CCc1c(C#N)cnc2ncsc12.
What is the InChIKey of 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is WXIVKEIEQNOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3S/c1-2-7-6(3-10)4-11-9-8(7)13-5-12-9/h4-5H,2H2,1H3.
What are the key properties of 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 189.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 58612187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).