2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C16H18N4O3S — CID 75769965

IUPAC2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)Nc1nnc(C(C)C)s1)O2
InChIInChI=1S/C16H18N4O3S/c1-8(2)15-19-20-16(24-15)18-13(21)7-12-14(22)17-10-6-9(3)4-5-11(10)23-12/h4-6,8,12H,7H2,1-3H3,(H,17,22)(H,18,20,21)
InChIKeyDBGNUIABGJVFLU-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.70
Rot. Bonds4

About 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 75769965) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID75769965
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)Nc1nnc(C(C)C)s1)O2
InChIInChI=1S/C16H18N4O3S/c1-8(2)15-19-20-16(24-15)18-13(21)7-12-14(22)17-10-6-9(3)4-5-11(10)23-12/h4-6,8,12H,7H2,1-3H3,(H,17,22)(H,18,20,21)
InChIKeyDBGNUIABGJVFLU-UHFFFAOYSA-N
XLogP2.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769952
N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 51427064
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 75769095
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881714
N-(3-fluorophenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768967
ethyl 2-[[2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 75769648
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769955
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7831363
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881738

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 75769965) is 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1nnc(C(C)C)s1)O2.
What is the InChIKey of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DBGNUIABGJVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-8(2)15-19-20-16(24-15)18-13(21)7-12-14(22)17-10-6-9(3)4-5-11(10)23-12/h4-6,8,12H,7H2,1-3H3,(H,17,22)(H,18,20,21).
What are the key properties of 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 75769965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).