N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

C10H11N3O2S — CID 137167483

IUPACN-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCNC(=O)c1c[nH]c2snc(C)c2c1=O
InChIInChI=1S/C10H11N3O2S/c1-3-11-9(15)6-4-12-10-7(8(6)14)5(2)13-16-10/h4H,3H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyZHMYXWHVRKRSKS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.04
Rot. Bonds2

About N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide

N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 137167483) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
PubChem CID137167483
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide
SMILESCCNC(=O)c1c[nH]c2snc(C)c2c1=O
InChIInChI=1S/C10H11N3O2S/c1-3-11-9(15)6-4-12-10-7(8(6)14)5(2)13-16-10/h4H,3H2,1-2H3,(H,11,15)(H,12,14)
InChIKeyZHMYXWHVRKRSKS-UHFFFAOYSA-N
XLogP1.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide (CID 137167483) is N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is CCNC(=O)c1c[nH]c2snc(C)c2c1=O.
What is the InChIKey of N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZHMYXWHVRKRSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-3-11-9(15)6-4-12-10-7(8(6)14)5(2)13-16-10/h4H,3H2,1-2H3,(H,11,15)(H,12,14).
What are the key properties of N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide?
N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-oxo-7H-[1,2]thiazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 137167483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).