N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide

C23H22FN5O2S2 — CID 166721907

IUPACN-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CCCCCC(=O)c1nccs1)c1ncc(-c2ccc(F)cc2)[nH]1)c1cncs1
InChIInChI=1S/C23H22FN5O2S2/c24-16-8-6-15(7-9-16)18-12-27-21(28-18)17(29-22(31)20-13-25-14-33-20)4-2-1-3-5-19(30)23-26-10-11-32-23/h6-14,17H,1-5H2,(H,27,28)(H,29,31)
InChIKeyXUAMASKDNXGLSO-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.43
Rot. Bonds11

About N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide (PubChem CID 166721907) has the molecular formula C23H22FN5O2S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
PubChem CID166721907
Molecular FormulaC23H22FN5O2S2
Molecular Weight483.59 g/mol
Exact Mass483.12
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CCCCCC(=O)c1nccs1)c1ncc(-c2ccc(F)cc2)[nH]1)c1cncs1
InChIInChI=1S/C23H22FN5O2S2/c24-16-8-6-15(7-9-16)18-12-27-21(28-18)17(29-22(31)20-13-25-14-33-20)4-2-1-3-5-19(30)23-26-10-11-32-23/h6-14,17H,1-5H2,(H,27,28)(H,29,31)
InChIKeyXUAMASKDNXGLSO-UHFFFAOYSA-N
XLogP5.43
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide (CID 166721907) is N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide is O=C(NC(CCCCCC(=O)c1nccs1)c1ncc(-c2ccc(F)cc2)[nH]1)c1cncs1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XUAMASKDNXGLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S2/c24-16-8-6-15(7-9-16)18-12-27-21(28-18)17(29-22(31)20-13-25-14-33-20)4-2-1-3-5-19(30)23-26-10-11-32-23/h6-14,17H,1-5H2,(H,27,28)(H,29,31).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 5.43, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-7-oxo-7-(1,3-thiazol-2-yl)heptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166721907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).