N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C18H14F2N4O5S — CID 52684564

About N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 52684564) has the molecular formula C18H14F2N4O5S and a molecular weight of 436.40 g/mol. Its IUPAC name is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
• PubChem CID: 52684564
• Molecular Formula: C18H14F2N4O5S
• Molecular Weight: 436.40 g/mol
• Exact Mass: 436.07
• IUPAC Name: N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
• SMILES: Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C18H14F2N4O5S/c1-10-16(11-2-5-13(6-3-11)29-17(19)20)22-18(30-10)21-14(25)9-23-8-12(24(27)28)4-7-15(23)26/h2-8,17H,9H2,1H3,(H,21,22,25)
• InChIKey: CFNPKSBYUALMGI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 116.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.40
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?

The IUPAC name of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 52684564) is N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

What is the SMILES notation for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?

The canonical SMILES for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1sc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)nc1-c1ccc(OC(F)F)cc1.

What is the InChIKey of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?

The InChIKey is CFNPKSBYUALMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O5S/c1-10-16(11-2-5-13(6-3-11)29-17(19)20)22-18(30-10)21-14(25)9-23-8-12(24(27)28)4-7-15(23)26/h2-8,17H,9H2,1H3,(H,21,22,25).

What are the key properties of N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?

N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 436.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 52684564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).