[1,2]thiazolo[5,4-b]pyridin-3-one

C6H4N2OS — CID 2727563

IUPAC[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1[nH]sc2ncccc12
InChIInChI=1S/C6H4N2OS/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChIKeyBRYKHZDQKQRTDN-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.98
Rot. Bonds

About [1,2]thiazolo[5,4-b]pyridin-3-one

[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 2727563) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is [1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID2727563
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESO=c1[nH]sc2ncccc12
InChIInChI=1S/C6H4N2OS/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChIKeyBRYKHZDQKQRTDN-UHFFFAOYSA-N
XLogP0.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotinamide
CID 936
Nicotinohydroxamic acid
CID 71211
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
Nicotinamide N-oxide
CID 72661
3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
4-Methyl-3-pyridinecarboxamide
CID 95692
Nicosulfuron-TP AUSN
CID 132990948
5-Methylnicotinamide
CID 65560
Pyridinium, 3-(aminocarbonyl)-1-methyl-, iodide (1:1)
CID 72660

Frequently Asked Questions

What is the IUPAC name of [1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of [1,2]thiazolo[5,4-b]pyridin-3-one (CID 2727563) is [1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for [1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for [1,2]thiazolo[5,4-b]pyridin-3-one is O=c1[nH]sc2ncccc12.
What is the InChIKey of [1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is BRYKHZDQKQRTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9).
What are the key properties of [1,2]thiazolo[5,4-b]pyridin-3-one?
[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 152.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 2727563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).