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

C7H3N3S — CID 67305386

IUPAC[1,3]thiazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2ncsc2n1
InChIInChI=1S/C7H3N3S/c8-3-5-1-2-6-7(10-5)11-4-9-6/h1-2,4H
InChIKeyWKMBZPPGWKZQPX-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.56
Rot. Bonds

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

[1,3]thiazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 67305386) has the molecular formula C7H3N3S and a molecular weight of 161.19 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID67305386
Molecular FormulaC7H3N3S
Molecular Weight161.19 g/mol
Exact Mass161.00
IUPAC Name[1,3]thiazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2ncsc2n1
InChIInChI=1S/C7H3N3S/c8-3-5-1-2-6-7(10-5)11-4-9-6/h1-2,4H
InChIKeyWKMBZPPGWKZQPX-UHFFFAOYSA-N
XLogP1.56
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-[1,3]thiazolo[5,4-b]pyridine
CID 141167515
5-piperidin-1-yl-[1,3]thiazolo[5,4-b]pyridine
CID 67234906
5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 141304726
5-methyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 592016
N'-([1,3]thiazolo[5,4-b]pyridin-5-yl)propane-1,3-diamine
CID 83834252
CID 88936778
CID 88936778
1,3-benzothiazole-7-carbonitrile
CID 69455274
5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
CID 100621011
ethane;[1,3]thiazolo[5,4-b]pyridine
CID 123698734
4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid
CID 57418815
3-phenylimidazo[4,5-b]pyridine-5-carbonitrile
CID 167287119
5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 90356390

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile (CID 67305386) is [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1ccc2ncsc2n1.
What is the InChIKey of [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is WKMBZPPGWKZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3S/c8-3-5-1-2-6-7(10-5)11-4-9-6/h1-2,4H.
What are the key properties of [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile?
[1,3]thiazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 161.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 67305386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).