[5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

C22H28N6OS — CID 25274683

About [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone

[5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25274683) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 25274683
• Molecular Formula: C22H28N6OS
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.20
• IUPAC Name: [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nc(CCNCc2c(C(=O)N3CCCC3)nc3sccn23)nc2c1CCCC2
• InChI: InChI=1S/C22H28N6OS/c1-15-16-6-2-3-7-17(16)25-19(24-15)8-9-23-14-18-20(21(29)27-10-4-5-11-27)26-22-28(18)12-13-30-22/h12-13,23H,2-11,14H2,1H3
• InChIKey: DTDZBXOXPTZWHI-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
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 [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone (CID 25274683) is [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is Cc1nc(CCNCc2c(C(=O)N3CCCC3)nc3sccn23)nc2c1CCCC2.

What is the InChIKey of [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is DTDZBXOXPTZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-15-16-6-2-3-7-17(16)25-19(24-15)8-9-23-14-18-20(21(29)27-10-4-5-11-27)26-22-28(18)12-13-30-22/h12-13,23H,2-11,14H2,1H3.

What are the key properties of [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone?

[5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 424.57 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25274683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).