3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one

C10H8N4OS — CID 18592735

IUPAC3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
SMILESNC1=Nn2c(nc3ccccc3c2=O)SC1
InChIInChI=1S/C10H8N4OS/c11-8-5-16-10-12-7-4-2-1-3-6(7)9(15)14(10)13-8/h1-4H,5H2,(H2,11,13)
InChIKeyTYQFVWNZUQBYRB-UHFFFAOYSA-N
MW232.27 g/mol
LogP0.62
Rot. Bonds

About 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one

3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one (PubChem CID 18592735) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one.

Molecular Properties

Compound Name3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
PubChem CID18592735
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
SMILESNC1=Nn2c(nc3ccccc3c2=O)SC1
InChIInChI=1S/C10H8N4OS/c11-8-5-16-10-12-7-4-2-1-3-6(7)9(15)14(10)13-8/h1-4H,5H2,(H2,11,13)
InChIKeyTYQFVWNZUQBYRB-UHFFFAOYSA-N
XLogP0.62
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138
12-methyl-5-phenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one
CID 2816629
3-amino-1,4-dihydropyrazino[2,1-b]quinazolin-6-one
CID 2160998
2-methyl-4H-[1,3,4]thiadiazino[2,3-b]quinazoline-3,6-dione
CID 10422071
acridin-9-amine;λ2-plumbane
CID 173496858
2-amino-3-butylquinazolin-4-one
CID 71653207
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
(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1474960
3,4-dimethyl-1H-[1,2,4,5]tetrazepino[3,2-b]quinazolin-7-one
CID 121002801
3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 135747657
3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione
CID 11121021

Frequently Asked Questions

What is the IUPAC name of 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
The IUPAC name of 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one (CID 18592735) is 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one.
What is the SMILES notation for 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
The canonical SMILES for 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one is NC1=Nn2c(nc3ccccc3c2=O)SC1.
What is the InChIKey of 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
The InChIKey is TYQFVWNZUQBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-8-5-16-10-12-7-4-2-1-3-6(7)9(15)14(10)13-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one?
3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one has a molecular weight of 232.27 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2H-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one is sourced from PubChem (CID 18592735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).