N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C19H18BrN3O3S — CID 55843482

About N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 55843482) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
• PubChem CID: 55843482
• Molecular Formula: C19H18BrN3O3S
• Molecular Weight: 448.34 g/mol
• Exact Mass: 447.03
• IUPAC Name: N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
• SMILES: Cc1cc(Cc2cnc(NC(=O)CNC(=O)c3ccoc3C)s2)ccc1Br
• InChI: InChI=1S/C19H18BrN3O3S/c1-11-7-13(3-4-16(11)20)8-14-9-22-19(27-14)23-17(24)10-21-18(25)15-5-6-26-12(15)2/h3-7,9H,8,10H2,1-2H3,(H,21,25)(H,22,23,24)
• InChIKey: CZJUHUHFCAKOCZ-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.34
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

The IUPAC name of N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 55843482) is N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

The canonical SMILES for N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1cc(Cc2cnc(NC(=O)CNC(=O)c3ccoc3C)s2)ccc1Br.

What is the InChIKey of N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

The InChIKey is CZJUHUHFCAKOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c1-11-7-13(3-4-16(11)20)8-14-9-22-19(27-14)23-17(24)10-21-18(25)15-5-6-26-12(15)2/h3-7,9H,8,10H2,1-2H3,(H,21,25)(H,22,23,24).

What are the key properties of N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?

N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 448.34 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55843482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).