N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C24H30N4O2S — CID 22459379

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 22459379) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 22459379
• Molecular Formula: C24H30N4O2S
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.21
• IUPAC Name: N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccncc2)sc1C(=O)Nc1cccc(OCCN(C(C)C)C(C)C)c1
• InChI: InChI=1S/C24H30N4O2S/c1-16(2)28(17(3)4)13-14-30-21-8-6-7-20(15-21)27-23(29)22-18(5)26-24(31-22)19-9-11-25-12-10-19/h6-12,15-17H,13-14H2,1-5H3,(H,27,29)
• InChIKey: JLKPKOSDOXZHCJ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.60
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 22459379) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccncc2)sc1C(=O)Nc1cccc(OCCN(C(C)C)C(C)C)c1.

What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

The InChIKey is JLKPKOSDOXZHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-16(2)28(17(3)4)13-14-30-21-8-6-7-20(15-21)27-23(29)22-18(5)26-24(31-22)19-9-11-25-12-10-19/h6-12,15-17H,13-14H2,1-5H3,(H,27,29).

What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?

N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22459379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).