(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione

C19H20N2O2S — CID 2324815

IUPAC(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
SMILESCC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-19(2)10-13-16(14(22)11-19)17(12-6-4-3-5-7-12)21-15(23)8-9-24-18(21)20-13/h3-7,17H,8-11H2,1-2H3/t17-/m0/s1
InChIKeyXEJRTMXEFCEHRW-KRWDZBQOSA-N
MW340.45 g/mol
LogP3.71
Rot. Bonds1

About (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione

(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione (PubChem CID 2324815) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione.

Molecular Properties

Compound Name(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
PubChem CID2324815
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
SMILESCC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-19(2)10-13-16(14(22)11-19)17(12-6-4-3-5-7-12)21-15(23)8-9-24-18(21)20-13/h3-7,17H,8-11H2,1-2H3/t17-/m0/s1
InChIKeyXEJRTMXEFCEHRW-KRWDZBQOSA-N
XLogP3.71
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione with MolForge

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Related Compounds

6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
CID 3576556
(6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
CID 2328145
(6S)-9,9-dimethyl-6-(3,4,5-trimethoxyphenyl)-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
CID 2324811
2-[(2-chlorophenyl)methylidene]-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23965250
7-benzoyl-6-(4-chlorophenyl)-8-phenyl-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-4-one
CID 102478289
methyl 6-(3-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3282786
ethyl (6R)-6-(4-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 6967386
ethyl 6-(4-iodophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3671650
ethyl 6-(3-bromophenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 5047144
3,3-dimethyl-11-phenyl-4,11-dihydro-2H-pyridazino[1,2-a]indazole-1,6,9-trione
CID 25111562
methyl 6-(2-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 44614913
ethyl (5R)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 641896

Frequently Asked Questions

What is the IUPAC name of (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The IUPAC name of (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione (CID 2324815) is (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione.
What is the SMILES notation for (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The canonical SMILES for (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione is CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccccc1.
What is the InChIKey of (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The InChIKey is XEJRTMXEFCEHRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-19(2)10-13-16(14(22)11-19)17(12-6-4-3-5-7-12)21-15(23)8-9-24-18(21)20-13/h3-7,17H,8-11H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione has a molecular weight of 340.45 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione is sourced from PubChem (CID 2324815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).