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

C20H16N4OS — CID 56931182

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3[nH]ncc3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H16N4OS/c1-13-7-9-15(10-8-13)17-12-26-20(22-17)23-19(25)18-16(11-21-24-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,24)(H,22,23,25)
InChIKeySSDSGSDIDJKSCG-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.76
Rot. Bonds4

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

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 56931182) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID56931182
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3[nH]ncc3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H16N4OS/c1-13-7-9-15(10-8-13)17-12-26-20(22-17)23-19(25)18-16(11-21-24-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,24)(H,22,23,25)
InChIKeySSDSGSDIDJKSCG-UHFFFAOYSA-N
XLogP4.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 56931182) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide is Cc1ccc(-c2csc(NC(=O)c3[nH]ncc3-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is SSDSGSDIDJKSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-13-7-9-15(10-8-13)17-12-26-20(22-17)23-19(25)18-16(11-21-24-18)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56931182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).