2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide

C25H23Cl2N7OS — CID 143255762

About 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide

2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide (PubChem CID 143255762) has the molecular formula C25H23Cl2N7OS and a molecular weight of 540.48 g/mol. Its IUPAC name is 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
• PubChem CID: 143255762
• Molecular Formula: C25H23Cl2N7OS
• Molecular Weight: 540.48 g/mol
• Exact Mass: 539.11
• IUPAC Name: 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
• SMILES: C=C(c1ccc(Cl)cc1Cl)n1cc(C(=O)Nc2nc(-c3cccnc3)cs2)nc1/N=C(/CC)CCN
• InChI: InChI=1S/C25H23Cl2N7OS/c1-3-18(8-9-28)30-24-31-21(13-34(24)15(2)19-7-6-17(26)11-20(19)27)23(35)33-25-32-22(14-36-25)16-5-4-10-29-12-16/h4-7,10-14H,2-3,8-9,28H2,1H3,(H,32,33,35)/b30-18-
• InChIKey: RCLQTTYIODVJCN-YKQZZPSBSA-N
• XLogP: 6.31
• TPSA: 111.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.48
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

The IUPAC name of 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide (CID 143255762) is 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide.

What is the SMILES notation for 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

The canonical SMILES for 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide is C=C(c1ccc(Cl)cc1Cl)n1cc(C(=O)Nc2nc(-c3cccnc3)cs2)nc1/N=C(/CC)CCN.

What is the InChIKey of 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

The InChIKey is RCLQTTYIODVJCN-YKQZZPSBSA-N. The full InChI is InChI=1S/C25H23Cl2N7OS/c1-3-18(8-9-28)30-24-31-21(13-34(24)15(2)19-7-6-17(26)11-20(19)27)23(35)33-25-32-22(14-36-25)16-5-4-10-29-12-16/h4-7,10-14H,2-3,8-9,28H2,1H3,(H,32,33,35)/b30-18-.

What are the key properties of 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide has a molecular weight of 540.48 g/mol, XLogP of 6.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-1-aminopentan-3-ylideneamino]-1-[1-(2,4-dichlorophenyl)ethenyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 143255762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).