N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H22BrN3O3S — CID 55882220

About N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55882220) has the molecular formula C21H22BrN3O3S and a molecular weight of 476.40 g/mol. Its IUPAC name is N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 55882220
• Molecular Formula: C21H22BrN3O3S
• Molecular Weight: 476.40 g/mol
• Exact Mass: 475.06
• IUPAC Name: N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CCCN(C(=O)Cc1csc(NC(=O)c2ccco2)n1)C(C)c1ccccc1Br
• InChI: InChI=1S/C21H22BrN3O3S/c1-3-10-25(14(2)16-7-4-5-8-17(16)22)19(26)12-15-13-29-21(23-15)24-20(27)18-9-6-11-28-18/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,23,24,27)
• InChIKey: MOLUFKRLOHZLOV-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.40
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55882220) is N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CCCN(C(=O)Cc1csc(NC(=O)c2ccco2)n1)C(C)c1ccccc1Br.

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

The InChIKey is MOLUFKRLOHZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O3S/c1-3-10-25(14(2)16-7-4-5-8-17(16)22)19(26)12-15-13-29-21(23-15)24-20(27)18-9-6-11-28-18/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,23,24,27).

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

N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 476.40 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[1-(2-bromophenyl)ethyl-propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55882220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).