6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one

C14H14N4O2S — CID 133428353

IUPAC6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(Nc3nc(C4CC4)ns3)cc21
InChIInChI=1S/C14H14N4O2S/c1-18-10-6-9(4-5-11(10)20-7-12(18)19)15-14-16-13(17-21-14)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16,17)
InChIKeyBIJMSPFOEJZVBS-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.51
Rot. Bonds3

About 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one

6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 133428353) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID133428353
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(Nc3nc(C4CC4)ns3)cc21
InChIInChI=1S/C14H14N4O2S/c1-18-10-6-9(4-5-11(10)20-7-12(18)19)15-14-16-13(17-21-14)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16,17)
InChIKeyBIJMSPFOEJZVBS-UHFFFAOYSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
6-[(3,8-diaminoimidazo[1,2-b]pyridazin-6-yl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 70901028
4-methyl-6-(4-oxocyclohexyl)-1,4-benzoxazin-3-one
CID 116963361
6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82496765
(3aS,6aR)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 136585527
2-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-1-carboxamide
CID 143615273
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102558481
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781420
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
6-(2,3-diaminopropylamino)-4-methyl-1,4-benzoxazin-3-one
CID 115119417
4-methyl-6-[[5-methyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]amino]-1,4-benzoxazin-3-one
CID 59405589

Frequently Asked Questions

What is the IUPAC name of 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one (CID 133428353) is 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(Nc3nc(C4CC4)ns3)cc21.
What is the InChIKey of 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is BIJMSPFOEJZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18-10-6-9(4-5-11(10)20-7-12(18)19)15-14-16-13(17-21-14)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16,17).
What are the key properties of 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one?
6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 302.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 133428353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).