N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C23H21N3O4S — CID 27886628

About N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 27886628) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 27886628
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: COc1ccc2cc(CN(C)C(=O)Cc3csc(NC(=O)c4ccco4)n3)ccc2c1
• InChI: InChI=1S/C23H21N3O4S/c1-26(13-15-5-6-17-11-19(29-2)8-7-16(17)10-15)21(27)12-18-14-31-23(24-18)25-22(28)20-4-3-9-30-20/h3-11,14H,12-13H2,1-2H3,(H,24,25,28)
• InChIKey: YKBPSNUXVUFRNP-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 27886628) is N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is COc1ccc2cc(CN(C)C(=O)Cc3csc(NC(=O)c4ccco4)n3)ccc2c1.

What is the InChIKey of N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is YKBPSNUXVUFRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-26(13-15-5-6-17-11-19(29-2)8-7-16(17)10-15)21(27)12-18-14-31-23(24-18)25-22(28)20-4-3-9-30-20/h3-11,14H,12-13H2,1-2H3,(H,24,25,28).

What are the key properties of N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 27886628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).