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

C21H24N2O4S — CID 2328145

IUPAC(6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
SMILESCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-21(2)10-13-18(14(24)11-21)19(23-17(25)7-8-28-20(23)22-13)12-5-6-15(26-3)16(9-12)27-4/h5-6,9,19H,7-8,10-11H2,1-4H3/t19-/m1/s1
InChIKeyWCRXHTVYBYBHAZ-LJQANCHMSA-N
MW400.50 g/mol
LogP3.72
Rot. Bonds3

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

(6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione (PubChem CID 2328145) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione.

Molecular Properties

Compound Name(6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
PubChem CID2328145
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name(6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
SMILESCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-21(2)10-13-18(14(24)11-21)19(23-17(25)7-8-28-20(23)22-13)12-5-6-15(26-3)16(9-12)27-4/h5-6,9,19H,7-8,10-11H2,1-4H3/t19-/m1/s1
InChIKeyWCRXHTVYBYBHAZ-LJQANCHMSA-N
XLogP3.72
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
CID 3576556
(6S)-9,9-dimethyl-6-phenyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
CID 2324815
ethyl (6S)-6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 7079999
methyl 6-(4-acetyloxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3487283
2-methylpropyl (6R)-6-(3,4-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 1033218
ethyl (6S)-6-(4-acetyloxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 1116450
propan-2-yl 6-(3-methoxy-4-prop-2-enoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3300720
methyl 6-[3-methoxy-4-(2-methylpropoxy)phenyl]-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 4053777
prop-2-enyl 6-(4-butoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 3687063
methyl 5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2958196
(9R)-9-(3,4-dimethoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
CID 1382072

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The IUPAC name of (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) is (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione.
What is the SMILES notation for (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The canonical SMILES for (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione is COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1OC.
What is the InChIKey of (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The InChIKey is WCRXHTVYBYBHAZ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-21(2)10-13-18(14(24)11-21)19(23-17(25)7-8-28-20(23)22-13)12-5-6-15(26-3)16(9-12)27-4/h5-6,9,19H,7-8,10-11H2,1-4H3/t19-/m1/s1.
What are the key properties of (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
(6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione has a molecular weight of 400.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3,4-dimethoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione is sourced from PubChem (CID 2328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).