6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one

C11H9N3O2S — CID 2061961

IUPAC6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1
InChIInChI=1S/C11H9N3O2S/c12-11-14-8(5-17-11)6-1-2-9-7(3-6)13-10(15)4-16-9/h1-3,5H,4H2,(H2,12,14)(H,13,15)
InChIKeyABNPNGOJWAZAGV-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.72
Rot. Bonds1

About 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one

6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 2061961) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
PubChem CID2061961
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1
InChIInChI=1S/C11H9N3O2S/c12-11-14-8(5-17-11)6-1-2-9-7(3-6)13-10(15)4-16-9/h1-3,5H,4H2,(H2,12,14)(H,13,15)
InChIKeyABNPNGOJWAZAGV-UHFFFAOYSA-N
XLogP1.72
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-(2-cyclopropyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 35618773
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
6-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 7529091
6-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 35618455
7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983674
6-[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 4800755
6-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2468356
(2R)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431352
(2S)-2-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 1431353

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one (CID 2061961) is 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one is Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is ABNPNGOJWAZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-11-14-8(5-17-11)6-1-2-9-7(3-6)13-10(15)4-16-9/h1-3,5H,4H2,(H2,12,14)(H,13,15).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 247.28 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 2061961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).