[(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium

C17H19ClFN4OS+ — CID 143734346

About [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium

[(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium (PubChem CID 143734346) has the molecular formula C17H19ClFN4OS+ and a molecular weight of 381.88 g/mol. Its IUPAC name is [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium.

Molecular Properties

• Compound Name: [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium
• PubChem CID: 143734346
• Molecular Formula: C17H19ClFN4OS+
• Molecular Weight: 381.88 g/mol
• Exact Mass: 381.09
• IUPAC Name: [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium
• SMILES: [H]/N=C/C=C(\[NH2+]C)c1cc(C(=O)NC(CN)c2ccc(F)cc2)sc1Cl
• InChI: InChI=1S/C17H18ClFN4OS/c1-22-13(6-7-20)12-8-15(25-16(12)18)17(24)23-14(9-21)10-2-4-11(19)5-3-10/h2-8,14,20,22H,9,21H2,1H3,(H,23,24)/p+1/b13-6-,20-7+
• InChIKey: MOTNWYUTNFMWFP-YZMKGZAISA-O
• XLogP: 2.15
• TPSA: 95.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.88
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium?

The IUPAC name of [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium (CID 143734346) is [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium.

What is the SMILES notation for [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium?

The canonical SMILES for [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium is [H]/N=C/C=C(\[NH2+]C)c1cc(C(=O)NC(CN)c2ccc(F)cc2)sc1Cl.

What is the InChIKey of [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium?

The InChIKey is MOTNWYUTNFMWFP-YZMKGZAISA-O. The full InChI is InChI=1S/C17H18ClFN4OS/c1-22-13(6-7-20)12-8-15(25-16(12)18)17(24)23-14(9-21)10-2-4-11(19)5-3-10/h2-8,14,20,22H,9,21H2,1H3,(H,23,24)/p+1/b13-6-,20-7+.

What are the key properties of [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium?

[(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium has a molecular weight of 381.88 g/mol, XLogP of 2.15, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1-[5-[[2-amino-1-(4-fluorophenyl)ethyl]carbamoyl]-2-chlorothiophen-3-yl]-3-iminoprop-1-enyl]-methylazanium is sourced from PubChem (CID 143734346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).