5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide

C20H15IN4OS — CID 162662210

IUPAC5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(I)cc2)sc1-c1cc(C(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C20H15IN4OS/c1-12-18(27-20(22-12)13-7-9-14(21)10-8-13)16-11-17(25-24-16)19(26)23-15-5-3-2-4-6-15/h2-11H,1H3,(H,23,26)(H,24,25)
InChIKeyMGQGKDGIDBNUFB-UHFFFAOYSA-N
MW486.34 g/mol
LogP5.37
Rot. Bonds4

About 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide

5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 162662210) has the molecular formula C20H15IN4OS and a molecular weight of 486.34 g/mol. Its IUPAC name is 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID162662210
Molecular FormulaC20H15IN4OS
Molecular Weight486.34 g/mol
Exact Mass486.00
IUPAC Name5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(I)cc2)sc1-c1cc(C(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C20H15IN4OS/c1-12-18(27-20(22-12)13-7-9-14(21)10-8-13)16-11-17(25-24-16)19(26)23-15-5-3-2-4-6-15/h2-11H,1H3,(H,23,26)(H,24,25)
InChIKeyMGQGKDGIDBNUFB-UHFFFAOYSA-N
XLogP5.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.34
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-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 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide (CID 162662210) is 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide is Cc1nc(-c2ccc(I)cc2)sc1-c1cc(C(=O)Nc2ccccc2)n[nH]1.
What is the InChIKey of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is MGQGKDGIDBNUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15IN4OS/c1-12-18(27-20(22-12)13-7-9-14(21)10-8-13)16-11-17(25-24-16)19(26)23-15-5-3-2-4-6-15/h2-11H,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 486.34 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162662210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).