N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C18H19BrN4OS — CID 24608795

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 24608795) has the molecular formula C18H19BrN4OS and a molecular weight of 419.35 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
• PubChem CID: 24608795
• Molecular Formula: C18H19BrN4OS
• Molecular Weight: 419.35 g/mol
• Exact Mass: 418.05
• IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
• SMILES: Cc1cc(C)n(CCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)n1
• InChI: InChI=1S/C18H19BrN4OS/c1-12-9-13(2)23(22-12)8-7-17(24)21-18-20-11-16(25-18)10-14-3-5-15(19)6-4-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21,24)
• InChIKey: PDTZDFGCGJSUNT-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.35
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 24608795) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)n1.

What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

The InChIKey is PDTZDFGCGJSUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4OS/c1-12-9-13(2)23(22-12)8-7-17(24)21-18-20-11-16(25-18)10-14-3-5-15(19)6-4-14/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,21,24).

What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 419.35 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 24608795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).