[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone

C20H18Br2N2OS2 — CID 3723791

About [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone

[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone (PubChem CID 3723791) has the molecular formula C20H18Br2N2OS2 and a molecular weight of 526.32 g/mol. Its IUPAC name is [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
• PubChem CID: 3723791
• Molecular Formula: C20H18Br2N2OS2
• Molecular Weight: 526.32 g/mol
• Exact Mass: 523.92
• IUPAC Name: [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
• SMILES: Cc1sc(C2CCN(C(=O)c3sccc3Br)CC2)nc1-c1ccc(Br)cc1
• InChI: InChI=1S/C20H18Br2N2OS2/c1-12-17(13-2-4-15(21)5-3-13)23-19(27-12)14-6-9-24(10-7-14)20(25)18-16(22)8-11-26-18/h2-5,8,11,14H,6-7,9-10H2,1H3
• InChIKey: DWSPGSFGZYFEJO-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 33.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.32
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone?

The IUPAC name of [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone (CID 3723791) is [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone.

What is the SMILES notation for [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone?

The canonical SMILES for [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone is Cc1sc(C2CCN(C(=O)c3sccc3Br)CC2)nc1-c1ccc(Br)cc1.

What is the InChIKey of [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone?

The InChIKey is DWSPGSFGZYFEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2N2OS2/c1-12-17(13-2-4-15(21)5-3-13)23-19(27-12)14-6-9-24(10-7-14)20(25)18-16(22)8-11-26-18/h2-5,8,11,14H,6-7,9-10H2,1H3.

What are the key properties of [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone?

[4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone has a molecular weight of 526.32 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 3723791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).