3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide

C19H20N6O2S2 — CID 11611670

IUPAC3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
SMILESCCN(CC)c1nc2ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc3c2s1
InChIInChI=1S/C19H20N6O2S2/c1-3-25(4-2)19-23-15-9-8-12-11-21-18(24-16(12)17(15)28-19)22-13-6-5-7-14(10-13)29(20,26)27/h5-11H,3-4H2,1-2H3,(H2,20,26,27)(H,21,22,24)
InChIKeyLFPBKHIMOGFVFD-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.48
Rot. Bonds6

About 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide

3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide (PubChem CID 11611670) has the molecular formula C19H20N6O2S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
PubChem CID11611670
Molecular FormulaC19H20N6O2S2
Molecular Weight428.54 g/mol
Exact Mass428.11
IUPAC Name3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
SMILESCCN(CC)c1nc2ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc3c2s1
InChIInChI=1S/C19H20N6O2S2/c1-3-25(4-2)19-23-15-9-8-12-11-21-18(24-16(12)17(15)28-19)22-13-6-5-7-14(10-13)29(20,26)27/h5-11H,3-4H2,1-2H3,(H2,20,26,27)(H,21,22,24)
InChIKeyLFPBKHIMOGFVFD-UHFFFAOYSA-N
XLogP3.48
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide (CID 11611670) is 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide is CCN(CC)c1nc2ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc3c2s1.
What is the InChIKey of 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
The InChIKey is LFPBKHIMOGFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S2/c1-3-25(4-2)19-23-15-9-8-12-11-21-18(24-16(12)17(15)28-19)22-13-6-5-7-14(10-13)29(20,26)27/h5-11H,3-4H2,1-2H3,(H2,20,26,27)(H,21,22,24).
What are the key properties of 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide?
3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide has a molecular weight of 428.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11611670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).