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

C10H12N2OS — CID 5271647

IUPAC2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCCCCn1sc2ncccc2c1=O
InChIInChI=1S/C10H12N2OS/c1-2-3-7-12-10(13)8-5-4-6-11-9(8)14-12/h4-6H,2-3,7H2,1H3
InChIKeyHTWAQNHMRUCYRU-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.26
Rot. Bonds3

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

2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 5271647) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID5271647
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCCCCn1sc2ncccc2c1=O
InChIInChI=1S/C10H12N2OS/c1-2-3-7-12-10(13)8-5-4-6-11-9(8)14-12/h4-6H,2-3,7H2,1H3
InChIKeyHTWAQNHMRUCYRU-UHFFFAOYSA-N
XLogP2.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271651
2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10448241
2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one
CID 24827424
ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10017665
N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54771315
1-butyl-2-methyl-1,8-naphthyridin-4-one
CID 150875994
2-[3-[2-(4-ethoxycyclohepta-1,3,5-trien-1-yl)ethylamino]-2-oxopropyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 134187214
2-[3-(dimethylamino)propyl]-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 13099789
2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10400502
ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 10335843
2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 147327859
5-butylpyrazolo[1,5-a]pyrazin-4-one
CID 154883945

Frequently Asked Questions

What is the IUPAC name of 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 5271647) is 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one is CCCCn1sc2ncccc2c1=O.
What is the InChIKey of 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is HTWAQNHMRUCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-3-7-12-10(13)8-5-4-6-11-9(8)14-12/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 208.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 5271647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).