4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one

C11H11N3OS — CID 12577138

IUPAC4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
SMILESCN1CCSc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H11N3OS/c1-13-6-7-16-11-12-9-5-3-2-4-8(9)10(15)14(11)13/h2-5H,6-7H2,1H3
InChIKeyNKULRYPDQKKOPH-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.07
Rot. Bonds

About 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one

4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one (PubChem CID 12577138) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
PubChem CID12577138
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
SMILESCN1CCSc2nc3ccccc3c(=O)n21
InChIInChI=1S/C11H11N3OS/c1-13-6-7-16-11-12-9-5-3-2-4-8(9)10(15)14(11)13/h2-5H,6-7H2,1H3
InChIKeyNKULRYPDQKKOPH-UHFFFAOYSA-N
XLogP1.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 18592735
2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
CID 10422071
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
CID 11245968
3-[4-oxo-2-(4-propan-2-ylpiperazin-1-yl)quinazolin-3-yl]propanoic acid
CID 71563908
1-[(2-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
CID 22333369
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 11367672

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
The IUPAC name of 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one (CID 12577138) is 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one.
What is the SMILES notation for 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
The canonical SMILES for 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one is CN1CCSc2nc3ccccc3c(=O)n21.
What is the InChIKey of 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
The InChIKey is NKULRYPDQKKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-13-6-7-16-11-12-9-5-3-2-4-8(9)10(15)14(11)13/h2-5H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one has a molecular weight of 233.30 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one is sourced from PubChem (CID 12577138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).