N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide

C22H25N3O5S — CID 91958345

About N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide (PubChem CID 91958345) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
• PubChem CID: 91958345
• Molecular Formula: C22H25N3O5S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.15
• IUPAC Name: N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
• SMILES: COc1ccc(C(=O)NCCC(O)c2ccco2)cc1-c1csc(N2CCOCC2)n1
• InChI: InChI=1S/C22H25N3O5S/c1-28-19-5-4-15(21(27)23-7-6-18(26)20-3-2-10-30-20)13-16(19)17-14-31-22(24-17)25-8-11-29-12-9-25/h2-5,10,13-14,18,26H,6-9,11-12H2,1H3,(H,23,27)
• InChIKey: BLDDYOMLPFFWKE-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 97.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?

The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide (CID 91958345) is N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide.

What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?

The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide is COc1ccc(C(=O)NCCC(O)c2ccco2)cc1-c1csc(N2CCOCC2)n1.

What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?

The InChIKey is BLDDYOMLPFFWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-28-19-5-4-15(21(27)23-7-6-18(26)20-3-2-10-30-20)13-16(19)17-14-31-22(24-17)25-8-11-29-12-9-25/h2-5,10,13-14,18,26H,6-9,11-12H2,1H3,(H,23,27).

What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide has a molecular weight of 443.53 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 91958345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).