2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide

C16H15F3N4O3S2 — CID 55616625

About 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 55616625) has the molecular formula C16H15F3N4O3S2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

• Compound Name: 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
• PubChem CID: 55616625
• Molecular Formula: C16H15F3N4O3S2
• Molecular Weight: 432.45 g/mol
• Exact Mass: 432.05
• IUPAC Name: 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
• SMILES: O=C(NNC(=O)c1ccccc1SC(F)(F)F)c1csc(N2CCOCC2)n1
• InChI: InChI=1S/C16H15F3N4O3S2/c17-16(18,19)28-12-4-2-1-3-10(12)13(24)21-22-14(25)11-9-27-15(20-11)23-5-7-26-8-6-23/h1-4,9H,5-8H2,(H,21,24)(H,22,25)
• InChIKey: WRMCXBVEMGPRPH-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.45
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide?

The IUPAC name of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide (CID 55616625) is 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide.

What is the SMILES notation for 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide?

The canonical SMILES for 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1ccccc1SC(F)(F)F)c1csc(N2CCOCC2)n1.

What is the InChIKey of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide?

The InChIKey is WRMCXBVEMGPRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3S2/c17-16(18,19)28-12-4-2-1-3-10(12)13(24)21-22-14(25)11-9-27-15(20-11)23-5-7-26-8-6-23/h1-4,9H,5-8H2,(H,21,24)(H,22,25).

What are the key properties of 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide?

2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 432.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55616625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).