2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H11N3O3S — CID 75769911

IUPAC2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)Nc1nccs1
InChIInChI=1S/C13H11N3O3S/c17-11(16-13-14-5-6-20-13)7-10-12(18)15-8-3-1-2-4-9(8)19-10/h1-6,10H,7H2,(H,15,18)(H,14,16,17)
InChIKeyHPLUHOZIMUANDT-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 75769911) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID75769911
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1Oc2ccccc2NC1=O)Nc1nccs1
InChIInChI=1S/C13H11N3O3S/c17-11(16-13-14-5-6-20-13)7-10-12(18)15-8-3-1-2-4-9(8)19-10/h1-6,10H,7H2,(H,15,18)(H,14,16,17)
InChIKeyHPLUHOZIMUANDT-UHFFFAOYSA-N
XLogP1.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 8852751
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17488895
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7831363
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3298328
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032844
N-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 95851158
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9185599
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 75769911) is 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1Oc2ccccc2NC1=O)Nc1nccs1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HPLUHOZIMUANDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(16-13-14-5-6-20-13)7-10-12(18)15-8-3-1-2-4-9(8)19-10/h1-6,10H,7H2,(H,15,18)(H,14,16,17).
What are the key properties of 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 75769911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).