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

C26H20N4OS — CID 162665515

IUPAC5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C26H20N4OS/c1-17-24(22-16-23(30-29-22)25(31)28-21-10-6-3-7-11-21)32-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-16H,1H3,(H,28,31)(H,29,30)
InChIKeyOMJQQQRQQLYVBF-UHFFFAOYSA-N
MW436.54 g/mol
LogP6.43
Rot. Bonds5

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

5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 162665515) has the molecular formula C26H20N4OS and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID162665515
Molecular FormulaC26H20N4OS
Molecular Weight436.54 g/mol
Exact Mass436.14
IUPAC Name5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccccc2)n[nH]1
InChIInChI=1S/C26H20N4OS/c1-17-24(22-16-23(30-29-22)25(31)28-21-10-6-3-7-11-21)32-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-16H,1H3,(H,28,31)(H,29,30)
InChIKeyOMJQQQRQQLYVBF-UHFFFAOYSA-N
XLogP6.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.54
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide (CID 162665515) is 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide is Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)Nc2ccccc2)n[nH]1.
What is the InChIKey of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is OMJQQQRQQLYVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4OS/c1-17-24(22-16-23(30-29-22)25(31)28-21-10-6-3-7-11-21)32-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-16H,1H3,(H,28,31)(H,29,30).
What are the key properties of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide?
5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 6.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 162665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).