2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide

C21H22N8OS — CID 138588725

About 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide

2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 138588725) has the molecular formula C21H22N8OS and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 138588725
• Molecular Formula: C21H22N8OS
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.16
• IUPAC Name: 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide
• SMILES: CN(C)C1CN(c2ncc(C(=O)Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)s2)C1
• InChI: InChI=1S/C21H22N8OS/c1-27(2)16-11-29(12-16)21-23-9-18(31-21)19(30)26-20-22-7-14-5-4-13(6-17(14)25-20)15-8-24-28(3)10-15/h4-10,16H,11-12H2,1-3H3,(H,22,25,26,30)
• InChIKey: JHLRFYMYTUSWKL-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide (CID 138588725) is 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide is CN(C)C1CN(c2ncc(C(=O)Nc3ncc4ccc(-c5cnn(C)c5)cc4n3)s2)C1.

What is the InChIKey of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is JHLRFYMYTUSWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8OS/c1-27(2)16-11-29(12-16)21-23-9-18(31-21)19(30)26-20-22-7-14-5-4-13(6-17(14)25-20)15-8-24-28(3)10-15/h4-10,16H,11-12H2,1-3H3,(H,22,25,26,30).

What are the key properties of 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide?

2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(dimethylamino)azetidin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138588725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).