5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

C10H9ClN2OS — CID 77230908

IUPAC5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1sc2nc(Cl)ccc2n1CC1CC1
InChIInChI=1S/C10H9ClN2OS/c11-8-4-3-7-9(12-8)15-10(14)13(7)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyVKEMJOSCSRBUTG-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.52
Rot. Bonds2

About 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one

5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 77230908) has the molecular formula C10H9ClN2OS and a molecular weight of 240.71 g/mol. Its IUPAC name is 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID77230908
Molecular FormulaC10H9ClN2OS
Molecular Weight240.71 g/mol
Exact Mass240.01
IUPAC Name5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESO=c1sc2nc(Cl)ccc2n1CC1CC1
InChIInChI=1S/C10H9ClN2OS/c11-8-4-3-7-9(12-8)15-10(14)13(7)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeyVKEMJOSCSRBUTG-UHFFFAOYSA-N
XLogP2.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2,2-Difluorocyclopropyl)methyl]-5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 70170192
[1-[(2,2-Difluorocyclopropyl)methyl]-2-oxo-[1,3]thiazolo[5,4-b]pyridin-5-yl]boronic acid
CID 71245918
5-chloro-1-[(2,2-difluorocyclopropyl)methyl][1,3]thiazolo[5,4-b]pyridin-2(1H)-one
CID 86676504
5-Chloro-1-(4,4-difluoropentyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 144272264
5-Chloro-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 14423123
Thiazolo[5,4-b]pyridin-2(1H)-one, 5-chloro-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 14423124
5-Chlorothiazolo[5,4-b]pyridin-2(1H)-one
CID 14423128
Methyl 2-(5-chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)acetate
CID 14423129
6-Chloro-5-methylsulfanyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylic acid
CID 67696728
3-(6-Chloro-2-oxo-[1,3]thiazolo[5,4-b]pyridin-1-yl)propanenitrile
CID 67721256
5-Chloro-1-(2,2-dimethylpropyl)-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 88189901
5-Chloro-1-[1-(4-methylpiperazin-1-yl)-2-oxoethenyl]-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 88644344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 77230908) is 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is O=c1sc2nc(Cl)ccc2n1CC1CC1.
What is the InChIKey of 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is VKEMJOSCSRBUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-4-3-7-9(12-8)15-10(14)13(7)5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one?
5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 240.71 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(cyclopropylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 77230908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).