chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium

C25H37ClN5O3S+ — CID 142846291

About chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium

chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium (PubChem CID 142846291) has the molecular formula C25H37ClN5O3S+ and a molecular weight of 523.12 g/mol. Its IUPAC name is chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium.

Molecular Properties

• Compound Name: chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium
• PubChem CID: 142846291
• Molecular Formula: C25H37ClN5O3S+
• Molecular Weight: 523.12 g/mol
• Exact Mass: 522.23
• IUPAC Name: chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium
• SMILES: CCN(CC[NH2+]C)C(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)n1.CCl
• InChI: InChI=1S/C24H33N5O3S.CH3Cl/c1-4-29(12-11-25-3)21(30)14-18-15-33-24(26-18)28-23(32)27-20-10-9-16(2)13-19(20)22(31)17-7-5-6-8-17;1-2/h9-10,13,15,17,25H,4-8,11-12,14H2,1-3H3,(H2,26,27,28,32);1H3/p+1
• InChIKey: SQNGJGWKYUZNRZ-UHFFFAOYSA-O
• XLogP: 3.91
• TPSA: 108.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.12
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium?

The IUPAC name of chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium (CID 142846291) is chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium.

What is the SMILES notation for chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium?

The canonical SMILES for chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium is CCN(CC[NH2+]C)C(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)n1.CCl.

What is the InChIKey of chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium?

The InChIKey is SQNGJGWKYUZNRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N5O3S.CH3Cl/c1-4-29(12-11-25-3)21(30)14-18-15-33-24(26-18)28-23(32)27-20-10-9-16(2)13-19(20)22(31)17-7-5-6-8-17;1-2/h9-10,13,15,17,25H,4-8,11-12,14H2,1-3H3,(H2,26,27,28,32);1H3/p+1.

What are the key properties of chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium?

chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium has a molecular weight of 523.12 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;2-[[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]-ethylamino]ethyl-methylazanium is sourced from PubChem (CID 142846291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).