4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C21H20N6O3S2 — CID 155815012

IUPAC4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H20N6O3S2/c28-32(29,26-21-22-9-14-31-21)16-7-5-15(6-8-16)23-20-24-18-4-2-1-3-17(18)19(25-20)27-10-12-30-13-11-27/h1-9,14H,10-13H2,(H,22,26)(H,23,24,25)
InChIKeyLUTUWNADHLKBGM-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.47
Rot. Bonds6

About 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 155815012) has the molecular formula C21H20N6O3S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID155815012
Molecular FormulaC21H20N6O3S2
Molecular Weight468.56 g/mol
Exact Mass468.10
IUPAC Name4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H20N6O3S2/c28-32(29,26-21-22-9-14-31-21)16-7-5-15(6-8-16)23-20-24-18-4-2-1-3-17(18)19(25-20)27-10-12-30-13-11-27/h1-9,14H,10-13H2,(H,22,26)(H,23,24,25)
InChIKeyLUTUWNADHLKBGM-UHFFFAOYSA-N
XLogP3.47
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 155815012) is 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LUTUWNADHLKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S2/c28-32(29,26-21-22-9-14-31-21)16-7-5-15(6-8-16)23-20-24-18-4-2-1-3-17(18)19(25-20)27-10-12-30-13-11-27/h1-9,14H,10-13H2,(H,22,26)(H,23,24,25).
What are the key properties of 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 468.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-ylquinazolin-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155815012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).