1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

C24H30N4O3S — CID 10456652

About 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate

1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (PubChem CID 10456652) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
• PubChem CID: 10456652
• Molecular Formula: C24H30N4O3S
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.20
• IUPAC Name: 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
• SMILES: CCN(CC)CC(C)OC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C
• InChI: InChI=1S/C24H30N4O3S/c1-6-28(7-2)13-16(5)31-24(30)19-12-18(22(29)27-21(19)15(3)4)20-14-32-23(26-20)17-8-10-25-11-9-17/h8-12,14-16H,6-7,13H2,1-5H3,(H,27,29)
• InChIKey: BYFFLCLXJMXMTM-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?

The IUPAC name of 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate (CID 10456652) is 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate.

What is the SMILES notation for 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?

The canonical SMILES for 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is CCN(CC)CC(C)OC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C(C)C.

What is the InChIKey of 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?

The InChIKey is BYFFLCLXJMXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-6-28(7-2)13-16(5)31-24(30)19-12-18(22(29)27-21(19)15(3)4)20-14-32-23(26-20)17-8-10-25-11-9-17/h8-12,14-16H,6-7,13H2,1-5H3,(H,27,29).

What are the key properties of 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate?

1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate has a molecular weight of 454.60 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(diethylamino)propan-2-yl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10456652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).