2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

C15H14BrN5OS2 — CID 55884605

About 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (PubChem CID 55884605) has the molecular formula C15H14BrN5OS2 and a molecular weight of 424.35 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
• PubChem CID: 55884605
• Molecular Formula: C15H14BrN5OS2
• Molecular Weight: 424.35 g/mol
• Exact Mass: 422.98
• IUPAC Name: 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
• SMILES: O=C(Cc1csc(-c2cc(Br)cs2)n1)NCCNc1ncccn1
• InChI: InChI=1S/C15H14BrN5OS2/c16-10-6-12(23-8-10)14-21-11(9-24-14)7-13(22)17-4-5-20-15-18-2-1-3-19-15/h1-3,6,8-9H,4-5,7H2,(H,17,22)(H,18,19,20)
• InChIKey: IWFLIQRDTCSBOJ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 79.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.35
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?

The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (CID 55884605) is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?

The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is O=C(Cc1csc(-c2cc(Br)cs2)n1)NCCNc1ncccn1.

What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?

The InChIKey is IWFLIQRDTCSBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5OS2/c16-10-6-12(23-8-10)14-21-11(9-24-14)7-13(22)17-4-5-20-15-18-2-1-3-19-15/h1-3,6,8-9H,4-5,7H2,(H,17,22)(H,18,19,20).

What are the key properties of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide has a molecular weight of 424.35 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 55884605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).