4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide

C25H26N6O2S — CID 66762830

About 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide

4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 66762830) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 66762830
• Molecular Formula: C25H26N6O2S
• Molecular Weight: 474.59 g/mol
• Exact Mass: 474.18
• IUPAC Name: 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide
• SMILES: C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2nc(C(C)(C)C)cs2)c1
• InChI: InChI=1S/C25H26N6O2S/c1-14(29-22-18-10-6-9-17(21(26)32)20(18)27-13-28-22)15-7-5-8-16(11-15)30-23(33)24-31-19(12-34-24)25(2,3)4/h5-14H,1-4H3,(H2,26,32)(H,30,33)(H,27,28,29)/t14-/m1/s1
• InChIKey: RYNQMPYRVHRMKH-CQSZACIVSA-N
• XLogP: 4.91
• TPSA: 122.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.59
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide (CID 66762830) is 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide is C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2nc(C(C)(C)C)cs2)c1.

What is the InChIKey of 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide?

The InChIKey is RYNQMPYRVHRMKH-CQSZACIVSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-14(29-22-18-10-6-9-17(21(26)32)20(18)27-13-28-22)15-7-5-8-16(11-15)30-23(33)24-31-19(12-34-24)25(2,3)4/h5-14H,1-4H3,(H2,26,32)(H,30,33)(H,27,28,29)/t14-/m1/s1.

What are the key properties of 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide?

4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66762830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).