N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide

C18H19N3O3S2 — CID 42377650

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (PubChem CID 42377650) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
• PubChem CID: 42377650
• Molecular Formula: C18H19N3O3S2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.09
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)o1
• InChI: InChI=1S/C18H19N3O3S2/c1-12(22)19-10-13-7-8-16(24-13)15-11-26-18(20-15)21-17(23)6-2-4-14-5-3-9-25-14/h3,5,7-9,11H,2,4,6,10H2,1H3,(H,19,22)(H,20,21,23)
• InChIKey: LJGODVAXLFNLPT-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide (CID 42377650) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?

The InChIKey is LJGODVAXLFNLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-12(22)19-10-13-7-8-16(24-13)15-11-26-18(20-15)21-17(23)6-2-4-14-5-3-9-25-14/h3,5,7-9,11H,2,4,6,10H2,1H3,(H,19,22)(H,20,21,23).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 42377650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).