N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide

C14H19N3O2S — CID 20876820

IUPACN-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
InChIInChI=1S/C14H19N3O2S/c1-4-5-6-15-11(18)8-17-14(19)12-9(2)7-10(3)16-13(12)20-17/h7H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyQGMSIJGXYGMNNQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.99
Rot. Bonds5

About N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide

N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (PubChem CID 20876820) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
PubChem CID20876820
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide
SMILESCCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
InChIInChI=1S/C14H19N3O2S/c1-4-5-6-15-11(18)8-17-14(19)12-9(2)7-10(3)16-13(12)20-17/h7H,4-6,8H2,1-3H3,(H,15,18)
InChIKeyQGMSIJGXYGMNNQ-UHFFFAOYSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The IUPAC name of N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide (CID 20876820) is N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is CCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O.
What is the InChIKey of N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
The InChIKey is QGMSIJGXYGMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-5-6-15-11(18)8-17-14(19)12-9(2)7-10(3)16-13(12)20-17/h7H,4-6,8H2,1-3H3,(H,15,18).
What are the key properties of N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide?
N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 20876820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).