4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide

C23H26N6O4S2 — CID 3750618

About 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide

4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide (PubChem CID 3750618) has the molecular formula C23H26N6O4S2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide.

Molecular Properties

• Compound Name: 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide
• PubChem CID: 3750618
• Molecular Formula: C23H26N6O4S2
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.15
• IUPAC Name: 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide
• SMILES: Cc1nnsc1C(=O)NNC(=O)c1csc(C2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)n1
• InChI: InChI=1S/C23H26N6O4S2/c1-13(2)33-17-6-4-16(5-7-17)23(32)29-10-8-15(9-11-29)22-24-18(12-34-22)20(30)26-27-21(31)19-14(3)25-28-35-19/h4-7,12-13,15H,8-11H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: WHQPIVBUELKKRR-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 126.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide?

The IUPAC name of 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide (CID 3750618) is 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide.

What is the SMILES notation for 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide?

The canonical SMILES for 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNC(=O)c1csc(C2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)n1.

What is the InChIKey of 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide?

The InChIKey is WHQPIVBUELKKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S2/c1-13(2)33-17-6-4-16(5-7-17)23(32)29-10-8-15(9-11-29)22-24-18(12-34-22)20(30)26-27-21(31)19-14(3)25-28-35-19/h4-7,12-13,15H,8-11H2,1-3H3,(H,26,30)(H,27,31).

What are the key properties of 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide?

4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide has a molecular weight of 514.63 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide is sourced from PubChem (CID 3750618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).