3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide

C29H32N6O3S2 — CID 161448338

About 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide

3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 161448338) has the molecular formula C29H32N6O3S2 and a molecular weight of 576.75 g/mol. Its IUPAC name is 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
• PubChem CID: 161448338
• Molecular Formula: C29H32N6O3S2
• Molecular Weight: 576.75 g/mol
• Exact Mass: 576.20
• IUPAC Name: 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide
• SMILES: Cc1ccc(N2CCN(C(=O)c3nc(C)c(-c4csc(Cc5cc(C(N)=O)ccc5OC(C)C)n4)s3)CC2)nc1
• InChI: InChI=1S/C29H32N6O3S2/c1-17(2)38-23-7-6-20(27(30)36)13-21(23)14-25-33-22(16-39-25)26-19(4)32-28(40-26)29(37)35-11-9-34(10-12-35)24-8-5-18(3)15-31-24/h5-8,13,15-17H,9-12,14H2,1-4H3,(H2,30,36)
• InChIKey: WAEPZOZAWZWAQF-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 114.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.75
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

The IUPAC name of 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide (CID 161448338) is 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

The canonical SMILES for 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is Cc1ccc(N2CCN(C(=O)c3nc(C)c(-c4csc(Cc5cc(C(N)=O)ccc5OC(C)C)n4)s3)CC2)nc1.

What is the InChIKey of 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

The InChIKey is WAEPZOZAWZWAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3S2/c1-17(2)38-23-7-6-20(27(30)36)13-21(23)14-25-33-22(16-39-25)26-19(4)32-28(40-26)29(37)35-11-9-34(10-12-35)24-8-5-18(3)15-31-24/h5-8,13,15-17H,9-12,14H2,1-4H3,(H2,30,36).

What are the key properties of 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide?

3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 576.75 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-methyl-2-[4-(5-methyl-2-pyridinyl)piperazine-1-carbonyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 161448338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).