3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one

C11H10N2OS — CID 695208

IUPAC3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
SMILESO=c1c2ccccc2nc2n1CCCS2
InChIInChI=1S/C11H10N2OS/c14-10-8-4-1-2-5-9(8)12-11-13(10)6-3-7-15-11/h1-2,4-5H,3,6-7H2
InChIKeyZEXFEYMKWROHDN-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.89
Rot. Bonds

About 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one

3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one (PubChem CID 695208) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one.

Molecular Properties

Compound Name3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
PubChem CID695208
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one
SMILESO=c1c2ccccc2nc2n1CCCS2
InChIInChI=1S/C11H10N2OS/c14-10-8-4-1-2-5-9(8)12-11-13(10)6-3-7-15-11/h1-2,4-5H,3,6-7H2
InChIKeyZEXFEYMKWROHDN-UHFFFAOYSA-N
XLogP1.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The IUPAC name of 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one (CID 695208) is 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one.
What is the SMILES notation for 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The canonical SMILES for 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one is O=c1c2ccccc2nc2n1CCCS2.
What is the InChIKey of 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
The InChIKey is ZEXFEYMKWROHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-10-8-4-1-2-5-9(8)12-11-13(10)6-3-7-15-11/h1-2,4-5H,3,6-7H2.
What are the key properties of 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one?
3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one has a molecular weight of 218.28 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-[1,3]thiazino[2,3-b]quinazolin-6-one is sourced from PubChem (CID 695208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).