N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

C20H20BrN3O3S3 — CID 3624200

About N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3624200) has the molecular formula C20H20BrN3O3S3 and a molecular weight of 526.50 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

• Compound Name: N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
• PubChem CID: 3624200
• Molecular Formula: C20H20BrN3O3S3
• Molecular Weight: 526.50 g/mol
• Exact Mass: 524.99
• IUPAC Name: N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
• SMILES: CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Br)s4)cs3)cc2)C1
• InChI: InChI=1S/C20H20BrN3O3S3/c1-13-3-2-10-24(11-13)30(26,27)15-6-4-14(5-7-15)19(25)23-20-22-16(12-28-20)17-8-9-18(21)29-17/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23,25)
• InChIKey: JAAAYBCXZHDUME-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.50
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?

The IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 3624200) is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?

The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccc(Br)s4)cs3)cc2)C1.

What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?

The InChIKey is JAAAYBCXZHDUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S3/c1-13-3-2-10-24(11-13)30(26,27)15-6-4-14(5-7-15)19(25)23-20-22-16(12-28-20)17-8-9-18(21)29-17/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23,25).

What are the key properties of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 526.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3624200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).