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

C7H5ClN2O3S — CID 177003358

IUPAC5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESCN1C(=O)c2nc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C7H5ClN2O3S/c1-10-7(11)6-4(14(10,12)13)2-3-5(8)9-6/h2-3H,1H3
InChIKeyVWMKSUXJWAVFAO-UHFFFAOYSA-N
MW232.65 g/mol
LogP0.51
Rot. Bonds

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

5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one (PubChem CID 177003358) has the molecular formula C7H5ClN2O3S and a molecular weight of 232.65 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one.

Molecular Properties

Compound Name5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one
PubChem CID177003358
Molecular FormulaC7H5ClN2O3S
Molecular Weight232.65 g/mol
Exact Mass231.97
IUPAC Name5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one
SMILESCN1C(=O)c2nc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C7H5ClN2O3S/c1-10-7(11)6-4(14(10,12)13)2-3-5(8)9-6/h2-3H,1H3
InChIKeyVWMKSUXJWAVFAO-UHFFFAOYSA-N
XLogP0.51
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.65
LogP ≤ 50.51
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-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one?
The IUPAC name of 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one (CID 177003358) is 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one.
What is the SMILES notation for 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one?
The canonical SMILES for 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one is CN1C(=O)c2nc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one?
The InChIKey is VWMKSUXJWAVFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3S/c1-10-7(11)6-4(14(10,12)13)2-3-5(8)9-6/h2-3H,1H3.
What are the key properties of 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one?
5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one has a molecular weight of 232.65 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,1-dioxo-[1,2]thiazolo[4,5-b]pyridin-3-one is sourced from PubChem (CID 177003358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).