4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide

C23H25N5O2S — CID 95859203

About 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide

4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 95859203) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
• PubChem CID: 95859203
• Molecular Formula: C23H25N5O2S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.17
• IUPAC Name: 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
• SMILES: CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCC(=O)Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C23H25N5O2S/c1-15(2)21-25-18-9-4-3-8-17(18)22(30)28(21)12-6-10-20(29)27-23-26-19(14-31-23)16-7-5-11-24-13-16/h3-5,7-9,11,13-15,21,25H,6,10,12H2,1-2H3,(H,26,27,29)/t21-/m0/s1
• InChIKey: MHGDNEYBRQGEMU-NRFANRHFSA-N
• XLogP: 4.47
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?

The IUPAC name of 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide (CID 95859203) is 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide.

What is the SMILES notation for 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?

The canonical SMILES for 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide is CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCC(=O)Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?

The InChIKey is MHGDNEYBRQGEMU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15(2)21-25-18-9-4-3-8-17(18)22(30)28(21)12-6-10-20(29)27-23-26-19(14-31-23)16-7-5-11-24-13-16/h3-5,7-9,11,13-15,21,25H,6,10,12H2,1-2H3,(H,26,27,29)/t21-/m0/s1.

What are the key properties of 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?

4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 435.55 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-4-oxo-2-propan-2-yl-1,2-dihydroquinazolin-3-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 95859203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).