4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one

C12H12N4OS — CID 79772293

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESNc1ncc(CN2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C12H12N4OS/c13-12-14-5-8(18-12)6-16-7-11(17)15-9-3-1-2-4-10(9)16/h1-5H,6-7H2,(H2,13,14)(H,15,17)
InChIKeyISJHMCKHNBBXPB-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.68
Rot. Bonds2

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 79772293) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
PubChem CID79772293
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
SMILESNc1ncc(CN2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C12H12N4OS/c13-12-14-5-8(18-12)6-16-7-11(17)15-9-3-1-2-4-10(9)16/h1-5H,6-7H2,(H2,13,14)(H,15,17)
InChIKeyISJHMCKHNBBXPB-UHFFFAOYSA-N
XLogP1.68
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one (CID 79772293) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one is Nc1ncc(CN2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ISJHMCKHNBBXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-12-14-5-8(18-12)6-16-7-11(17)15-9-3-1-2-4-10(9)16/h1-5H,6-7H2,(H2,13,14)(H,15,17).
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 260.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79772293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).