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

C7H5ClN2OS — CID 178139496

IUPAC5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCn1c(=O)sc2nc(Cl)ccc21
InChIInChI=1S/C7H5ClN2OS/c1-10-4-2-3-5(8)9-6(4)12-7(10)11/h2-3H,1H3
InChIKeyBFFXSXHAIYJLDW-UHFFFAOYSA-N
MW200.65 g/mol
LogP1.65
Rot. Bonds

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

5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one (PubChem CID 178139496) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
PubChem CID178139496
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one
SMILESCn1c(=O)sc2nc(Cl)ccc21
InChIInChI=1S/C7H5ClN2OS/c1-10-4-2-3-5(8)9-6(4)12-7(10)11/h2-3H,1H3
InChIKeyBFFXSXHAIYJLDW-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The IUPAC name of 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one (CID 178139496) is 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one is Cn1c(=O)sc2nc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
The InChIKey is BFFXSXHAIYJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c1-10-4-2-3-5(8)9-6(4)12-7(10)11/h2-3H,1H3.
What are the key properties of 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one?
5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one has a molecular weight of 200.65 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-[1,3]thiazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 178139496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).