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

C21H23N3O4S — CID 55901595

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

2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 55901595) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• PubChem CID: 55901595
• Molecular Formula: C21H23N3O4S
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.14
• IUPAC Name: 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
• SMILES: CCCOc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1
• InChI: InChI=1S/C21H23N3O4S/c1-4-8-28-18-10-13(2)5-6-17(18)23-19(25)11-15-12-29-21(22-15)24-20(26)16-7-9-27-14(16)3/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,23,25)(H,22,24,26)
• InChIKey: CZGUQNKULNXMCZ-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.50
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 55901595) is 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

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

The canonical SMILES for 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is CCCOc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1.

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

The InChIKey is CZGUQNKULNXMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-4-8-28-18-10-13(2)5-6-17(18)23-19(25)11-15-12-29-21(22-15)24-20(26)16-7-9-27-14(16)3/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,23,25)(H,22,24,26).

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

2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55901595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).