N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C18H15F3N4O3S2 — CID 55447041

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 55447041) has the molecular formula C18H15F3N4O3S2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
• PubChem CID: 55447041
• Molecular Formula: C18H15F3N4O3S2
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.05
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccc(C(F)(F)F)cn3)n2)o1
• InChI: InChI=1S/C18H15F3N4O3S2/c1-10(26)22-7-12-3-4-14(28-12)13-8-30-17(24-13)25-15(27)9-29-16-5-2-11(6-23-16)18(19,20)21/h2-6,8H,7,9H2,1H3,(H,22,26)(H,24,25,27)
• InChIKey: LCKOXEHUBQLVOD-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 55447041) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CSc3ccc(C(F)(F)F)cn3)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?

The InChIKey is LCKOXEHUBQLVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S2/c1-10(26)22-7-12-3-4-14(28-12)13-8-30-17(24-13)25-15(27)9-29-16-5-2-11(6-23-16)18(19,20)21/h2-6,8H,7,9H2,1H3,(H,22,26)(H,24,25,27).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 456.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 55447041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).