2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide

C23H21N5O2S — CID 136850217

About 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 136850217) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 136850217
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)s1
• InChI: InChI=1S/C23H21N5O2S/c1-14-21(31-15(2)25-14)23(30)27-19(16-8-4-3-5-9-16)12-17-13-20(29)28-22(26-17)18-10-6-7-11-24-18/h3-11,13,19H,12H2,1-2H3,(H,27,30)(H,26,28,29)/t19-/m0/s1
• InChIKey: UJFIYNDJJCTWAY-IBGZPJMESA-N
• XLogP: 3.62
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide (CID 136850217) is 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccccn3)n2)c2ccccc2)s1.

What is the InChIKey of 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is UJFIYNDJJCTWAY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14-21(31-15(2)25-14)23(30)27-19(16-8-4-3-5-9-16)12-17-13-20(29)28-22(26-17)18-10-6-7-11-24-18/h3-11,13,19H,12H2,1-2H3,(H,27,30)(H,26,28,29)/t19-/m0/s1.

What are the key properties of 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide?

2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[(1S)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136850217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).