[5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium

C24H30N7O2S2+ — CID 59732985

About [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium

[5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium (PubChem CID 59732985) has the molecular formula C24H30N7O2S2+ and a molecular weight of 512.69 g/mol. Its IUPAC name is [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium.

Molecular Properties

• Compound Name: [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium
• PubChem CID: 59732985
• Molecular Formula: C24H30N7O2S2+
• Molecular Weight: 512.69 g/mol
• Exact Mass: 512.19
• IUPAC Name: [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium
• SMILES: Cc1ccc(NC(=O)Nc2nc(CSc3nnc(C[NH3+])n3C3CC3)cs2)c(C(=O)C2CCCC2)c1
• InChI: InChI=1S/C24H29N7O2S2/c1-14-6-9-19(18(10-14)21(32)15-4-2-3-5-15)27-22(33)28-23-26-16(12-34-23)13-35-24-30-29-20(11-25)31(24)17-7-8-17/h6,9-10,12,15,17H,2-5,7-8,11,13,25H2,1H3,(H2,26,27,28,33)/p+1
• InChIKey: MWPZXHFUIFTQDQ-UHFFFAOYSA-O
• XLogP: 4.43
• TPSA: 129.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.69
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium?

The IUPAC name of [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium (CID 59732985) is [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium.

What is the SMILES notation for [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium?

The canonical SMILES for [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium is Cc1ccc(NC(=O)Nc2nc(CSc3nnc(C[NH3+])n3C3CC3)cs2)c(C(=O)C2CCCC2)c1.

What is the InChIKey of [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium?

The InChIKey is MWPZXHFUIFTQDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N7O2S2/c1-14-6-9-19(18(10-14)21(32)15-4-2-3-5-15)27-22(33)28-23-26-16(12-34-23)13-35-24-30-29-20(11-25)31(24)17-7-8-17/h6,9-10,12,15,17H,2-5,7-8,11,13,25H2,1H3,(H2,26,27,28,33)/p+1.

What are the key properties of [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium?

[5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium has a molecular weight of 512.69 g/mol, XLogP of 4.43, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methylazanium is sourced from PubChem (CID 59732985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).