(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

C22H26N2O5S — CID 2324811

IUPAC(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
SMILESCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5S/c1-22(2)10-13-18(14(25)11-22)19(24-17(26)6-7-30-21(24)23-13)12-8-15(27-3)20(29-5)16(9-12)28-4/h8-9,19H,6-7,10-11H2,1-5H3/t19-/m0/s1
InChIKeyHTDUZZJFVNWKMH-IBGZPJMESA-N
MW430.53 g/mol
LogP3.73
Rot. Bonds4

About (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

(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 (PubChem CID 2324811) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID2324811
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name(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
SMILESCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5S/c1-22(2)10-13-18(14(25)11-22)19(24-17(26)6-7-30-21(24)23-13)12-8-15(27-3)20(29-5)16(9-12)28-4/h8-9,19H,6-7,10-11H2,1-5H3/t19-/m0/s1
InChIKeyHTDUZZJFVNWKMH-IBGZPJMESA-N
XLogP3.73
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 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

(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
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
pentyl (4S)-2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7089137
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
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
ethyl 7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5156446
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
methyl 6-(2,3-dimethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 4058992
5-(3-bromophenyl)-8,8-dimethyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23848037
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc(OC)c1OC.
What is the InChIKey of (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?
The InChIKey is HTDUZZJFVNWKMH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-22(2)10-13-18(14(25)11-22)19(24-17(26)6-7-30-21(24)23-13)12-8-15(27-3)20(29-5)16(9-12)28-4/h8-9,19H,6-7,10-11H2,1-5H3/t19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 430.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 2324811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).