2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione

C11H9N3O2S — CID 10422071

IUPAC2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
SMILESCC1Sc2nc3ccccc3c(=O)n2NC1=O
InChIInChI=1S/C11H9N3O2S/c1-6-9(15)13-14-10(16)7-4-2-3-5-8(7)12-11(14)17-6/h2-6H,1H3,(H,13,15)
InChIKeyUGMNFGCFSLERAI-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.96
Rot. Bonds

About 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione

2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione (PubChem CID 10422071) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
PubChem CID10422071
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
SMILESCC1Sc2nc3ccccc3c(=O)n2NC1=O
InChIInChI=1S/C11H9N3O2S/c1-6-9(15)13-14-10(16)7-4-2-3-5-8(7)12-11(14)17-6/h2-6H,1H3,(H,13,15)
InChIKeyUGMNFGCFSLERAI-UHFFFAOYSA-N
XLogP0.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138
3-(2-oxochromen-3-yl)-4H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 5009297
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 11367672
13,13-dioxo-13λ6,16-dithia-2,10-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7-tetraen-9-one
CID 53335690
3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 18592735
(1S,4S)-1-benzyl-4-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249754
CID 164840749
CID 164840749
3,12,13,21-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
CID 13435123
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one
CID 121002801
(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 98051173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione?
The IUPAC name of 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione (CID 10422071) is 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione.
What is the SMILES notation for 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione?
The canonical SMILES for 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione is CC1Sc2nc3ccccc3c(=O)n2NC1=O.
What is the InChIKey of 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione?
The InChIKey is UGMNFGCFSLERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-6-9(15)13-14-10(16)7-4-2-3-5-8(7)12-11(14)17-6/h2-6H,1H3,(H,13,15).
What are the key properties of 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione?
2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione has a molecular weight of 247.28 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione is sourced from PubChem (CID 10422071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).