2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C12H18N4O3S — CID 56765039

IUPAC2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2nc(NC(C)=O)sc2C1
InChIInChI=1S/C12H18N4O3S/c1-8(17)14-11-15-9-3-5-16(7-10(9)20-11)12(18)13-4-6-19-2/h3-7H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyOATWUHFREHZJED-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.82
Rot. Bonds4

About 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 56765039) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID56765039
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2nc(NC(C)=O)sc2C1
InChIInChI=1S/C12H18N4O3S/c1-8(17)14-11-15-9-3-5-16(7-10(9)20-11)12(18)13-4-6-19-2/h3-7H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyOATWUHFREHZJED-UHFFFAOYSA-N
XLogP0.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
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 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 56765039) is 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is COCCNC(=O)N1CCc2nc(NC(C)=O)sc2C1.
What is the InChIKey of 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is OATWUHFREHZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8(17)14-11-15-9-3-5-16(7-10(9)20-11)12(18)13-4-6-19-2/h3-7H2,1-2H3,(H,13,18)(H,14,15,17).
What are the key properties of 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 56765039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).