1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C28H24N4OS — CID 2558833

IUPAC1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C28H24N4OS/c1-18-14-19(2)26(20(3)15-18)24-17-34-28(29-24)30-27(33)25-16-23(21-10-6-4-7-11-21)31-32(25)22-12-8-5-9-13-22/h4-17H,1-3H3,(H,29,30,33)
InChIKeyQXQDAFNGKHASAN-UHFFFAOYSA-N
MW464.59 g/mol
LogP6.84
Rot. Bonds5

About 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 2558833) has the molecular formula C28H24N4OS and a molecular weight of 464.59 g/mol. Its IUPAC name is 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID2558833
Molecular FormulaC28H24N4OS
Molecular Weight464.59 g/mol
Exact Mass464.17
IUPAC Name1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C28H24N4OS/c1-18-14-19(2)26(20(3)15-18)24-17-34-28(29-24)30-27(33)25-16-23(21-10-6-4-7-11-21)31-32(25)22-12-8-5-9-13-22/h4-17H,1-3H3,(H,29,30,33)
InChIKeyQXQDAFNGKHASAN-UHFFFAOYSA-N
XLogP6.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 2558833) is 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is QXQDAFNGKHASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4OS/c1-18-14-19(2)26(20(3)15-18)24-17-34-28(29-24)30-27(33)25-16-23(21-10-6-4-7-11-21)31-32(25)22-12-8-5-9-13-22/h4-17H,1-3H3,(H,29,30,33).
What are the key properties of 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 2558833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).