N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide

C25H24BrN5O2S — CID 5233169

About N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide

N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide (PubChem CID 5233169) has the molecular formula C25H24BrN5O2S and a molecular weight of 538.47 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide.

Molecular Properties

• Compound Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
• PubChem CID: 5233169
• Molecular Formula: C25H24BrN5O2S
• Molecular Weight: 538.47 g/mol
• Exact Mass: 537.08
• IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide
• SMILES: CCC(C)C(NC(=O)Nc1cccc2ccccc12)C(=O)Nc1nnc(-c2cccc(Br)c2)s1
• InChI: InChI=1S/C25H24BrN5O2S/c1-3-15(2)21(28-24(33)27-20-13-7-9-16-8-4-5-12-19(16)20)22(32)29-25-31-30-23(34-25)17-10-6-11-18(26)14-17/h4-15,21H,3H2,1-2H3,(H2,27,28,33)(H,29,31,32)
• InChIKey: YZHMSMOOZQODJG-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.47
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?

The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide (CID 5233169) is N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide.

What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?

The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide is CCC(C)C(NC(=O)Nc1cccc2ccccc12)C(=O)Nc1nnc(-c2cccc(Br)c2)s1.

What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?

The InChIKey is YZHMSMOOZQODJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O2S/c1-3-15(2)21(28-24(33)27-20-13-7-9-16-8-4-5-12-19(16)20)22(32)29-25-31-30-23(34-25)17-10-6-11-18(26)14-17/h4-15,21H,3H2,1-2H3,(H2,27,28,33)(H,29,31,32).

What are the key properties of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide?

N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide has a molecular weight of 538.47 g/mol, XLogP of 6.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamoylamino)pentanamide is sourced from PubChem (CID 5233169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).