N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide

C25H24N4O2S — CID 10478636

About N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide

N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 10478636) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
• PubChem CID: 10478636
• Molecular Formula: C25H24N4O2S
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.16
• IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C25H24N4O2S/c1-16(2)31-21-10-7-18(8-11-21)24(30)27-20-9-6-17(3)22(13-20)28-25-29-23(15-32-25)19-5-4-12-26-14-19/h4-16H,1-3H3,(H,27,30)(H,28,29)
• InChIKey: XNKQVBBQSPTBCZ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide (CID 10478636) is N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide is Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide?

The InChIKey is XNKQVBBQSPTBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-16(2)31-21-10-7-18(8-11-21)24(30)27-20-9-6-17(3)22(13-20)28-25-29-23(15-32-25)19-5-4-12-26-14-19/h4-16H,1-3H3,(H,27,30)(H,28,29).

What are the key properties of N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide?

N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 444.56 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 10478636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).