N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C20H15BrN4O3S — CID 162670092

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 162670092) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
• PubChem CID: 162670092
• Molecular Formula: C20H15BrN4O3S
• Molecular Weight: 471.34 g/mol
• Exact Mass: 470.00
• IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
• SMILES: CCn1c(=O)c(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c(O)c2ccccc21
• InChI: InChI=1S/C20H15BrN4O3S/c1-2-25-14-6-4-3-5-13(14)16(26)15(19(25)28)17(27)22-20-24-23-18(29-20)11-7-9-12(21)10-8-11/h3-10,26H,2H2,1H3,(H,22,24,27)
• InChIKey: GQSREVYYZJJMSD-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.34
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?

The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 162670092) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?

The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)c(O)c2ccccc21.

What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?

The InChIKey is GQSREVYYZJJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c1-2-25-14-6-4-3-5-13(14)16(26)15(19(25)28)17(27)22-20-24-23-18(29-20)11-7-9-12(21)10-8-11/h3-10,26H,2H2,1H3,(H,22,24,27).

What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 471.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 162670092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).