2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide

C13H11N3O3S — CID 110683129

IUPAC2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)Nc3nccs3)cc2NC1=O
InChIInChI=1S/C13H11N3O3S/c1-7-11(17)15-9-6-8(2-3-10(9)19-7)12(18)16-13-14-4-5-20-13/h2-7H,1H3,(H,15,17)(H,14,16,18)
InChIKeyPORKFBOFASNRJK-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.11
Rot. Bonds2

About 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide

2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110683129) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110683129
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)Nc3nccs3)cc2NC1=O
InChIInChI=1S/C13H11N3O3S/c1-7-11(17)15-9-6-8(2-3-10(9)19-7)12(18)16-13-14-4-5-20-13/h2-7H,1H3,(H,15,17)(H,14,16,18)
InChIKeyPORKFBOFASNRJK-UHFFFAOYSA-N
XLogP2.11
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 110683130
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764062
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzothiazole-6-carboxamide
CID 41176931
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3H-benzimidazole-5-carboxamide
CID 25350582
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611
2-methyl-3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-carboxamide
CID 110683012
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide (CID 110683129) is 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide is CC1Oc2ccc(C(=O)Nc3nccs3)cc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is PORKFBOFASNRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-7-11(17)15-9-6-8(2-3-10(9)19-7)12(18)16-13-14-4-5-20-13/h2-7H,1H3,(H,15,17)(H,14,16,18).
What are the key properties of 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide?
2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110683129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).