(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

C24H26N6O5S2 — CID 149379706

About (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide

(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (PubChem CID 149379706) has the molecular formula C24H26N6O5S2 and a molecular weight of 542.64 g/mol. Its IUPAC name is (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• PubChem CID: 149379706
• Molecular Formula: C24H26N6O5S2
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.14
• IUPAC Name: (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
• SMILES: CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4sc(C)nc4C)c3)cc2c1=O
• InChI: InChI=1S/C24H26N6O5S2/c1-13(21(31)25-4)11-30-12-27-19-7-6-16(8-18(19)23(30)32)17-9-20(22(35-5)26-10-17)29-37(33,34)24-14(2)28-15(3)36-24/h6-10,12-13,29H,11H2,1-5H3,(H,25,31)/t13-/m1/s1
• InChIKey: YLKGHEAPUXCUDE-CYBMUJFWSA-N
• XLogP: 2.72
• TPSA: 145.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The IUPAC name of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide (CID 149379706) is (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide.

What is the SMILES notation for (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The canonical SMILES for (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is CNC(=O)[C@H](C)Cn1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4sc(C)nc4C)c3)cc2c1=O.

What is the InChIKey of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

The InChIKey is YLKGHEAPUXCUDE-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H26N6O5S2/c1-13(21(31)25-4)11-30-12-27-19-7-6-16(8-18(19)23(30)32)17-9-20(22(35-5)26-10-17)29-37(33,34)24-14(2)28-15(3)36-24/h6-10,12-13,29H,11H2,1-5H3,(H,25,31)/t13-/m1/s1.

What are the key properties of (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide?

(2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide has a molecular weight of 542.64 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[6-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 149379706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).