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

C18H22N4O5S — CID 42380720

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 42380720) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
• PubChem CID: 42380720
• Molecular Formula: C18H22N4O5S
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.13
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)CCC(=O)N3CCOCC3)n2)o1
• InChI: InChI=1S/C18H22N4O5S/c1-12(23)19-10-13-2-3-15(27-13)14-11-28-18(20-14)21-16(24)4-5-17(25)22-6-8-26-9-7-22/h2-3,11H,4-10H2,1H3,(H,19,23)(H,20,21,24)
• InChIKey: LXXASSCQJYAJAQ-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	1.62
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]-4-morpholin-4-yl-4-oxobutanamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 42380720) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

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

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)CCC(=O)N3CCOCC3)n2)o1.

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

The InChIKey is LXXASSCQJYAJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-12(23)19-10-13-2-3-15(27-13)14-11-28-18(20-14)21-16(24)4-5-17(25)22-6-8-26-9-7-22/h2-3,11H,4-10H2,1H3,(H,19,23)(H,20,21,24).

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 406.46 g/mol, XLogP of 1.62, 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]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 42380720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).